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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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-a9905476/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-a9905476/inputs/seq.fa: 1
curr_seq: _UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCCUCCGGCCCCUGAAUGCGGCUAAUCCUAACUGCGGAGCACACACCCUCAAGCCAGAGGGCAGUGUGUCGUAACGGGCAACUCUGCAGCGGAACCGACUACUUUGGGUGUCCGUGUUUCAUUUUAUUCCUAUACUGGCUGCUUAUGGUGACAAUUGAGAGAUCGUUACCAUAUAGCUAUUGGAUUGGCCAUCCGGUGACUAAUAGAGCUAUUAUAUAUCCCUUUGUUGGGUUUAUACCACUUAGCUUGAAAGAGGUUAAAACAUUACAAUUCAUUGUUAAGUUGAAUACAGCAAA
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 296 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: 1485
n_atoms_counter: 1485
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 296.000000 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: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
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: 1
Temperature: 0.950000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
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: 1
Temperature: 1.000000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1193.357298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.357298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.357298 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.000
local terms energy: -1151.889215
where:
bonds (distance) C4'-P energy: -287.587
bonds (distance) P-C4' energy: -265.712
flat angles C4'-P-C4' energy: -217.331
flat angles P-C4'-P energy: -248.603
tors. eta vs tors. theta energy: -132.657
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1403.836978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.836978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.836978 (E_RNA)
where:
Base-Base interactions energy: -596.697
where: short stacking energy: -594.137
Base-Backbone interact. energy: 0.744
local terms energy: -807.884668
where:
bonds (distance) C4'-P energy: -177.924
bonds (distance) P-C4' energy: -191.886
flat angles C4'-P-C4' energy: -176.865
flat angles P-C4'-P energy: -105.591
tors. eta vs tors. theta energy: -155.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1318.913468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.913468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.913468 (E_RNA)
where:
Base-Base interactions energy: -507.856
where: short stacking energy: -498.901
Base-Backbone interact. energy: 0.701
local terms energy: -811.758817
where:
bonds (distance) C4'-P energy: -192.795
bonds (distance) P-C4' energy: -189.207
flat angles C4'-P-C4' energy: -184.384
flat angles P-C4'-P energy: -114.947
tors. eta vs tors. theta energy: -130.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1250.296848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.296848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.296848 (E_RNA)
where:
Base-Base interactions energy: -480.748
where: short stacking energy: -471.702
Base-Backbone interact. energy: -0.385
local terms energy: -769.163512
where:
bonds (distance) C4'-P energy: -190.355
bonds (distance) P-C4' energy: -189.497
flat angles C4'-P-C4' energy: -180.196
flat angles P-C4'-P energy: -104.343
tors. eta vs tors. theta energy: -104.773
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1200.999648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.999648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.999648 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -157.036
Base-Backbone interact. energy: -0.000
local terms energy: -1043.768615
where:
bonds (distance) C4'-P energy: -232.823
bonds (distance) P-C4' energy: -215.261
flat angles C4'-P-C4' energy: -219.359
flat angles P-C4'-P energy: -230.586
tors. eta vs tors. theta energy: -145.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1204.338459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.338459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.338459 (E_RNA)
where:
Base-Base interactions energy: -106.909
where: short stacking energy: -106.909
Base-Backbone interact. energy: -0.000
local terms energy: -1097.429482
where:
bonds (distance) C4'-P energy: -258.747
bonds (distance) P-C4' energy: -234.649
flat angles C4'-P-C4' energy: -218.831
flat angles P-C4'-P energy: -241.776
tors. eta vs tors. theta energy: -143.427
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1222.814418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.814418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.814418 (E_RNA)
where:
Base-Base interactions energy: -267.823
where: short stacking energy: -267.823
Base-Backbone interact. energy: 0.051
local terms energy: -955.042632
where:
bonds (distance) C4'-P energy: -187.666
bonds (distance) P-C4' energy: -189.298
flat angles C4'-P-C4' energy: -217.612
flat angles P-C4'-P energy: -215.984
tors. eta vs tors. theta energy: -144.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1202.170070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.170070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.170070 (E_RNA)
where:
Base-Base interactions energy: -90.287
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.000
local terms energy: -1111.882300
where:
bonds (distance) C4'-P energy: -272.024
bonds (distance) P-C4' energy: -237.284
flat angles C4'-P-C4' energy: -218.903
flat angles P-C4'-P energy: -242.875
tors. eta vs tors. theta energy: -140.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1208.344063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.344063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.344063 (E_RNA)
where:
Base-Base interactions energy: -102.725
where: short stacking energy: -102.725
Base-Backbone interact. energy: -0.000
local terms energy: -1105.619009
where:
bonds (distance) C4'-P energy: -266.161
bonds (distance) P-C4' energy: -236.652
flat angles C4'-P-C4' energy: -220.273
flat angles P-C4'-P energy: -242.518
tors. eta vs tors. theta energy: -140.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1192.815997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.815997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.815997 (E_RNA)
where:
Base-Base interactions energy: -115.964
where: short stacking energy: -115.964
Base-Backbone interact. energy: -0.000
local terms energy: -1076.851140
where:
bonds (distance) C4'-P energy: -255.306
bonds (distance) P-C4' energy: -227.257
flat angles C4'-P-C4' energy: -214.770
flat angles P-C4'-P energy: -238.638
tors. eta vs tors. theta energy: -140.880
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1205.940888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.940888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.940888 (E_RNA)
where:
Base-Base interactions energy: -132.560
where: short stacking energy: -132.560
Base-Backbone interact. energy: -0.000
local terms energy: -1073.380191
where:
bonds (distance) C4'-P energy: -254.590
bonds (distance) P-C4' energy: -218.595
flat angles C4'-P-C4' energy: -220.391
flat angles P-C4'-P energy: -237.577
tors. eta vs tors. theta energy: -142.227
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1429.358348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.358348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.358348 (E_RNA)
where:
Base-Base interactions energy: -608.593
where: short stacking energy: -606.016
Base-Backbone interact. energy: -0.173
local terms energy: -820.591709
where:
bonds (distance) C4'-P energy: -179.805
bonds (distance) P-C4' energy: -182.455
flat angles C4'-P-C4' energy: -184.072
flat angles P-C4'-P energy: -119.772
tors. eta vs tors. theta energy: -154.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1372.376079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.376079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.376079 (E_RNA)
where:
Base-Base interactions energy: -554.810
where: short stacking energy: -550.200
Base-Backbone interact. energy: -0.627
local terms energy: -816.939142
where:
bonds (distance) C4'-P energy: -184.683
bonds (distance) P-C4' energy: -202.912
flat angles C4'-P-C4' energy: -171.881
flat angles P-C4'-P energy: -122.631
tors. eta vs tors. theta energy: -134.832
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1231.205799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.205799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.205799 (E_RNA)
where:
Base-Base interactions energy: -493.295
where: short stacking energy: -486.870
Base-Backbone interact. energy: -0.363
local terms energy: -737.547688
where:
bonds (distance) C4'-P energy: -171.199
bonds (distance) P-C4' energy: -187.925
flat angles C4'-P-C4' energy: -173.953
flat angles P-C4'-P energy: -113.242
tors. eta vs tors. theta energy: -91.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1193.252420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.252420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.252420 (E_RNA)
where:
Base-Base interactions energy: -441.110
where: short stacking energy: -434.213
Base-Backbone interact. energy: 3.803
local terms energy: -755.945421
where:
bonds (distance) C4'-P energy: -183.868
bonds (distance) P-C4' energy: -200.193
flat angles C4'-P-C4' energy: -179.089
flat angles P-C4'-P energy: -97.961
tors. eta vs tors. theta energy: -94.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1056.575457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.575457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.575457 (E_RNA)
where:
Base-Base interactions energy: -391.077
where: short stacking energy: -389.674
Base-Backbone interact. energy: -0.767
local terms energy: -664.731639
where:
bonds (distance) C4'-P energy: -174.184
bonds (distance) P-C4' energy: -166.902
flat angles C4'-P-C4' energy: -170.630
flat angles P-C4'-P energy: -85.317
tors. eta vs tors. theta energy: -67.699
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -989.476631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.476631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.476631 (E_RNA)
where:
Base-Base interactions energy: -349.780
where: short stacking energy: -294.416
Base-Backbone interact. energy: 6.195
local terms energy: -645.891941
where:
bonds (distance) C4'-P energy: -175.030
bonds (distance) P-C4' energy: -169.243
flat angles C4'-P-C4' energy: -156.920
flat angles P-C4'-P energy: -89.111
tors. eta vs tors. theta energy: -55.588
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -876.388539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.388539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.388539 (E_RNA)
where:
Base-Base interactions energy: -310.250
where: short stacking energy: -302.120
Base-Backbone interact. energy: -1.723
local terms energy: -564.415696
where:
bonds (distance) C4'-P energy: -167.033
bonds (distance) P-C4' energy: -168.522
flat angles C4'-P-C4' energy: -142.166
flat angles P-C4'-P energy: -57.671
tors. eta vs tors. theta energy: -29.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -806.331672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.331672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.331672 (E_RNA)
where:
Base-Base interactions energy: -265.638
where: short stacking energy: -246.955
Base-Backbone interact. energy: -3.820
local terms energy: -536.874107
where:
bonds (distance) C4'-P energy: -146.436
bonds (distance) P-C4' energy: -160.972
flat angles C4'-P-C4' energy: -122.279
flat angles P-C4'-P energy: -86.067
tors. eta vs tors. theta energy: -21.119
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -764.279433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.279433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.279433 (E_RNA)
where:
Base-Base interactions energy: -212.364
where: short stacking energy: -201.902
Base-Backbone interact. energy: -1.404
local terms energy: -550.511336
where:
bonds (distance) C4'-P energy: -159.041
bonds (distance) P-C4' energy: -162.573
flat angles C4'-P-C4' energy: -147.072
flat angles P-C4'-P energy: -85.805
tors. eta vs tors. theta energy: 3.979
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -670.628251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.628251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.628251 (E_RNA)
where:
Base-Base interactions energy: -188.674
where: short stacking energy: -165.427
Base-Backbone interact. energy: 1.217
local terms energy: -483.170832
where:
bonds (distance) C4'-P energy: -142.348
bonds (distance) P-C4' energy: -154.434
flat angles C4'-P-C4' energy: -133.254
flat angles P-C4'-P energy: -79.784
tors. eta vs tors. theta energy: 26.650
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1478.246740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.246740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.246740 (E_RNA)
where:
Base-Base interactions energy: -641.156
where: short stacking energy: -633.203
Base-Backbone interact. energy: -0.479
local terms energy: -836.611299
where:
bonds (distance) C4'-P energy: -193.503
bonds (distance) P-C4' energy: -191.710
flat angles C4'-P-C4' energy: -186.930
flat angles P-C4'-P energy: -118.616
tors. eta vs tors. theta energy: -145.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1392.567442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.567442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.567442 (E_RNA)
where:
Base-Base interactions energy: -586.870
where: short stacking energy: -581.070
Base-Backbone interact. energy: 2.164
local terms energy: -807.861406
where:
bonds (distance) C4'-P energy: -167.394
bonds (distance) P-C4' energy: -201.142
flat angles C4'-P-C4' energy: -177.100
flat angles P-C4'-P energy: -103.074
tors. eta vs tors. theta energy: -159.152
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1283.874149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.874149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.874149 (E_RNA)
where:
Base-Base interactions energy: -533.211
where: short stacking energy: -478.653
Base-Backbone interact. energy: -1.244
local terms energy: -749.419673
where:
bonds (distance) C4'-P energy: -160.969
bonds (distance) P-C4' energy: -172.456
flat angles C4'-P-C4' energy: -182.055
flat angles P-C4'-P energy: -121.126
tors. eta vs tors. theta energy: -112.814
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1168.736733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.736733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.736733 (E_RNA)
where:
Base-Base interactions energy: -441.880
where: short stacking energy: -435.286
Base-Backbone interact. energy: -1.933
local terms energy: -724.923886
where:
bonds (distance) C4'-P energy: -178.818
bonds (distance) P-C4' energy: -172.445
flat angles C4'-P-C4' energy: -170.375
flat angles P-C4'-P energy: -102.200
tors. eta vs tors. theta energy: -101.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1010.695185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.695185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.695185 (E_RNA)
where:
Base-Base interactions energy: -394.662
where: short stacking energy: -340.465
Base-Backbone interact. energy: -2.029
local terms energy: -614.004572
where:
bonds (distance) C4'-P energy: -164.016
bonds (distance) P-C4' energy: -160.740
flat angles C4'-P-C4' energy: -144.084
flat angles P-C4'-P energy: -114.497
tors. eta vs tors. theta energy: -30.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1054.324378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.324378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.324378 (E_RNA)
where:
Base-Base interactions energy: -443.369
where: short stacking energy: -369.324
Base-Backbone interact. energy: -0.677
local terms energy: -610.278518
where:
bonds (distance) C4'-P energy: -163.717
bonds (distance) P-C4' energy: -178.773
flat angles C4'-P-C4' energy: -160.207
flat angles P-C4'-P energy: -76.168
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -889.123941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.123941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.123941 (E_RNA)
where:
Base-Base interactions energy: -320.040
where: short stacking energy: -295.242
Base-Backbone interact. energy: -0.060
local terms energy: -569.024134
where:
bonds (distance) C4'-P energy: -159.977
bonds (distance) P-C4' energy: -146.040
flat angles C4'-P-C4' energy: -148.768
flat angles P-C4'-P energy: -88.689
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -778.577518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.577518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.577518 (E_RNA)
where:
Base-Base interactions energy: -251.927
where: short stacking energy: -233.554
Base-Backbone interact. energy: -1.079
local terms energy: -525.571211
where:
bonds (distance) C4'-P energy: -153.970
bonds (distance) P-C4' energy: -151.272
flat angles C4'-P-C4' energy: -132.806
flat angles P-C4'-P energy: -85.394
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -752.691363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.691363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.691363 (E_RNA)
where:
Base-Base interactions energy: -266.989
where: short stacking energy: -250.420
Base-Backbone interact. energy: 4.989
local terms energy: -490.691685
where:
bonds (distance) C4'-P energy: -158.349
bonds (distance) P-C4' energy: -152.460
flat angles C4'-P-C4' energy: -118.559
flat angles P-C4'-P energy: -71.960
tors. eta vs tors. theta energy: 10.637
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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -671.826915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.826915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.826915 (E_RNA)
where:
Base-Base interactions energy: -220.776
where: short stacking energy: -197.947
Base-Backbone interact. energy: -2.004
local terms energy: -449.046513
where:
bonds (distance) C4'-P energy: -144.761
bonds (distance) P-C4' energy: -142.556
flat angles C4'-P-C4' energy: -127.324
flat angles P-C4'-P energy: -64.184
tors. eta vs tors. theta energy: 29.780
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1513.097388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.097388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.097388 (E_RNA)
where:
Base-Base interactions energy: -657.755
where: short stacking energy: -650.650
Base-Backbone interact. energy: -0.203
local terms energy: -855.139853
where:
bonds (distance) C4'-P energy: -186.133
bonds (distance) P-C4' energy: -185.465
flat angles C4'-P-C4' energy: -191.408
flat angles P-C4'-P energy: -119.495
tors. eta vs tors. theta energy: -172.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1380.754603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.754603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.754603 (E_RNA)
where:
Base-Base interactions energy: -580.877
where: short stacking energy: -555.853
Base-Backbone interact. energy: -1.477
local terms energy: -798.400451
where:
bonds (distance) C4'-P energy: -167.940
bonds (distance) P-C4' energy: -193.797
flat angles C4'-P-C4' energy: -185.016
flat angles P-C4'-P energy: -116.429
tors. eta vs tors. theta energy: -135.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1263.649270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.649270 (E_RNA)
where:
Base-Base interactions energy: -539.762
where: short stacking energy: -467.059
Base-Backbone interact. energy: -0.572
local terms energy: -723.314712
where:
bonds (distance) C4'-P energy: -178.912
bonds (distance) P-C4' energy: -170.926
flat angles C4'-P-C4' energy: -182.219
flat angles P-C4'-P energy: -106.467
tors. eta vs tors. theta energy: -84.790
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1154.538662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.538662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.538662 (E_RNA)
where:
Base-Base interactions energy: -446.348
where: short stacking energy: -408.904
Base-Backbone interact. energy: 1.604
local terms energy: -709.794579
where:
bonds (distance) C4'-P energy: -172.582
bonds (distance) P-C4' energy: -164.996
flat angles C4'-P-C4' energy: -192.791
flat angles P-C4'-P energy: -103.751
tors. eta vs tors. theta energy: -75.675
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1081.468434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.468434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.468434 (E_RNA)
where:
Base-Base interactions energy: -464.072
where: short stacking energy: -367.945
Base-Backbone interact. energy: -1.038
local terms energy: -616.358251
where:
bonds (distance) C4'-P energy: -152.335
bonds (distance) P-C4' energy: -146.699
flat angles C4'-P-C4' energy: -150.033
flat angles P-C4'-P energy: -101.257
tors. eta vs tors. theta energy: -66.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1045.841720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.841720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.841720 (E_RNA)
where:
Base-Base interactions energy: -470.216
where: short stacking energy: -368.236
Base-Backbone interact. energy: 1.244
local terms energy: -576.869965
where:
bonds (distance) C4'-P energy: -154.685
bonds (distance) P-C4' energy: -142.911
flat angles C4'-P-C4' energy: -143.259
flat angles P-C4'-P energy: -84.209
tors. eta vs tors. theta energy: -51.805
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: 5
Temperature: 1.200000
Total energy: -907.827861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.827861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.827861 (E_RNA)
where:
Base-Base interactions energy: -360.379
where: short stacking energy: -287.371
Base-Backbone interact. energy: -1.885
local terms energy: -545.563124
where:
bonds (distance) C4'-P energy: -151.937
bonds (distance) P-C4' energy: -167.922
flat angles C4'-P-C4' energy: -131.994
flat angles P-C4'-P energy: -91.521
tors. eta vs tors. theta energy: -2.190
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -822.820584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.820584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.820584 (E_RNA)
where:
Base-Base interactions energy: -285.307
where: short stacking energy: -264.337
Base-Backbone interact. energy: 5.447
local terms energy: -542.961456
where:
bonds (distance) C4'-P energy: -174.348
bonds (distance) P-C4' energy: -147.934
flat angles C4'-P-C4' energy: -134.002
flat angles P-C4'-P energy: -87.397
tors. eta vs tors. theta energy: 0.720
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: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -736.692618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.692618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.692618 (E_RNA)
where:
Base-Base interactions energy: -248.811
where: short stacking energy: -206.869
Base-Backbone interact. energy: -2.106
local terms energy: -485.776070
where:
bonds (distance) C4'-P energy: -133.215
bonds (distance) P-C4' energy: -160.697
flat angles C4'-P-C4' energy: -131.443
flat angles P-C4'-P energy: -75.591
tors. eta vs tors. theta energy: 15.170
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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -653.949172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.949172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.949172 (E_RNA)
where:
Base-Base interactions energy: -202.587
where: short stacking energy: -169.722
Base-Backbone interact. energy: -0.233
local terms energy: -451.128471
where:
bonds (distance) C4'-P energy: -144.995
bonds (distance) P-C4' energy: -147.686
flat angles C4'-P-C4' energy: -116.633
flat angles P-C4'-P energy: -92.919
tors. eta vs tors. theta energy: 51.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1449.660130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.660130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.660130 (E_RNA)
where:
Base-Base interactions energy: -625.614
where: short stacking energy: -622.926
Base-Backbone interact. energy: 0.413
local terms energy: -824.459040
where:
bonds (distance) C4'-P energy: -186.809
bonds (distance) P-C4' energy: -177.056
flat angles C4'-P-C4' energy: -194.920
flat angles P-C4'-P energy: -106.229
tors. eta vs tors. theta energy: -159.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1409.224416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.224416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.224416 (E_RNA)
where:
Base-Base interactions energy: -610.786
where: short stacking energy: -522.744
Base-Backbone interact. energy: -2.293
local terms energy: -796.145253
where:
bonds (distance) C4'-P energy: -170.247
bonds (distance) P-C4' energy: -198.901
flat angles C4'-P-C4' energy: -188.089
flat angles P-C4'-P energy: -124.593
tors. eta vs tors. theta energy: -114.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1314.104456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.104456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.104456 (E_RNA)
where:
Base-Base interactions energy: -586.323
where: short stacking energy: -513.041
Base-Backbone interact. energy: 0.185
local terms energy: -727.966243
where:
bonds (distance) C4'-P energy: -157.879
bonds (distance) P-C4' energy: -185.787
flat angles C4'-P-C4' energy: -171.285
flat angles P-C4'-P energy: -101.778
tors. eta vs tors. theta energy: -111.237
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1183.501532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.501532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.501532 (E_RNA)
where:
Base-Base interactions energy: -496.833
where: short stacking energy: -455.870
Base-Backbone interact. energy: -0.980
local terms energy: -685.688739
where:
bonds (distance) C4'-P energy: -164.570
bonds (distance) P-C4' energy: -169.315
flat angles C4'-P-C4' energy: -163.201
flat angles P-C4'-P energy: -111.341
tors. eta vs tors. theta energy: -77.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1137.935905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.935905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.935905 (E_RNA)
where:
Base-Base interactions energy: -480.119
where: short stacking energy: -375.268
Base-Backbone interact. energy: 2.297
local terms energy: -660.113739
where:
bonds (distance) C4'-P energy: -162.370
bonds (distance) P-C4' energy: -177.665
flat angles C4'-P-C4' energy: -151.396
flat angles P-C4'-P energy: -107.526
tors. eta vs tors. theta energy: -61.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1045.768627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.768627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.768627 (E_RNA)
where:
Base-Base interactions energy: -455.224
where: short stacking energy: -372.319
Base-Backbone interact. energy: 1.498
local terms energy: -592.042144
where:
bonds (distance) C4'-P energy: -159.958
bonds (distance) P-C4' energy: -167.323
flat angles C4'-P-C4' energy: -135.169
flat angles P-C4'-P energy: -88.242
tors. eta vs tors. theta energy: -41.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -997.363014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.363014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.363014 (E_RNA)
where:
Base-Base interactions energy: -442.746
where: short stacking energy: -314.752
Base-Backbone interact. energy: 3.691
local terms energy: -558.308274
where:
bonds (distance) C4'-P energy: -131.025
bonds (distance) P-C4' energy: -174.371
flat angles C4'-P-C4' energy: -134.944
flat angles P-C4'-P energy: -99.090
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -820.903870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.903870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.903870 (E_RNA)
where:
Base-Base interactions energy: -269.020
where: short stacking energy: -239.880
Base-Backbone interact. energy: 3.372
local terms energy: -555.256004
where:
bonds (distance) C4'-P energy: -146.679
bonds (distance) P-C4' energy: -178.083
flat angles C4'-P-C4' energy: -149.552
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -731.866639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.866639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.866639 (E_RNA)
where:
Base-Base interactions energy: -255.394
where: short stacking energy: -214.396
Base-Backbone interact. energy: 6.850
local terms energy: -483.323061
where:
bonds (distance) C4'-P energy: -145.955
bonds (distance) P-C4' energy: -166.639
flat angles C4'-P-C4' energy: -143.174
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: 31.294
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -658.373811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.373811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.373811 (E_RNA)
where:
Base-Base interactions energy: -233.098
where: short stacking energy: -180.531
Base-Backbone interact. energy: -1.888
local terms energy: -423.387659
where:
bonds (distance) C4'-P energy: -145.828
bonds (distance) P-C4' energy: -131.599
flat angles C4'-P-C4' energy: -124.054
flat angles P-C4'-P energy: -68.614
tors. eta vs tors. theta energy: 46.707
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1474.726417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.726417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.726417 (E_RNA)
where:
Base-Base interactions energy: -665.075
where: short stacking energy: -588.542
Base-Backbone interact. energy: 1.330
local terms energy: -810.981850
where:
bonds (distance) C4'-P energy: -183.121
bonds (distance) P-C4' energy: -172.982
flat angles C4'-P-C4' energy: -190.043
flat angles P-C4'-P energy: -134.457
tors. eta vs tors. theta energy: -130.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1471.595942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.595942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.595942 (E_RNA)
where:
Base-Base interactions energy: -668.679
where: short stacking energy: -521.897
Base-Backbone interact. energy: 0.072
local terms energy: -802.988158
where:
bonds (distance) C4'-P energy: -168.707
bonds (distance) P-C4' energy: -203.538
flat angles C4'-P-C4' energy: -194.215
flat angles P-C4'-P energy: -128.314
tors. eta vs tors. theta energy: -108.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1335.720858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.720858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.720858 (E_RNA)
where:
Base-Base interactions energy: -614.092
where: short stacking energy: -508.853
Base-Backbone interact. energy: 1.998
local terms energy: -723.626818
where:
bonds (distance) C4'-P energy: -174.961
bonds (distance) P-C4' energy: -177.135
flat angles C4'-P-C4' energy: -173.635
flat angles P-C4'-P energy: -113.381
tors. eta vs tors. theta energy: -84.515
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1182.571080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.571080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.571080 (E_RNA)
where:
Base-Base interactions energy: -487.466
where: short stacking energy: -429.209
Base-Backbone interact. energy: -1.520
local terms energy: -693.584852
where:
bonds (distance) C4'-P energy: -155.175
bonds (distance) P-C4' energy: -174.136
flat angles C4'-P-C4' energy: -166.396
flat angles P-C4'-P energy: -114.486
tors. eta vs tors. theta energy: -83.393
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: 7
Temperature: 1.100000
Total energy: -1179.331138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.331138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.331138 (E_RNA)
where:
Base-Base interactions energy: -532.559
where: short stacking energy: -405.279
Base-Backbone interact. energy: -3.845
local terms energy: -642.927353
where:
bonds (distance) C4'-P energy: -159.470
bonds (distance) P-C4' energy: -154.814
flat angles C4'-P-C4' energy: -147.510
flat angles P-C4'-P energy: -105.348
tors. eta vs tors. theta energy: -75.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1111.823345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.823345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.823345 (E_RNA)
where:
Base-Base interactions energy: -503.392
where: short stacking energy: -367.601
Base-Backbone interact. energy: -1.179
local terms energy: -607.252396
where:
bonds (distance) C4'-P energy: -176.370
bonds (distance) P-C4' energy: -163.808
flat angles C4'-P-C4' energy: -145.021
flat angles P-C4'-P energy: -69.691
tors. eta vs tors. theta energy: -52.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1008.477986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.477986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.477986 (E_RNA)
where:
Base-Base interactions energy: -430.738
where: short stacking energy: -293.567
Base-Backbone interact. energy: -0.752
local terms energy: -576.988439
where:
bonds (distance) C4'-P energy: -157.314
bonds (distance) P-C4' energy: -166.348
flat angles C4'-P-C4' energy: -145.698
flat angles P-C4'-P energy: -88.011
tors. eta vs tors. theta energy: -19.618
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: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -866.587660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.587660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.587660 (E_RNA)
where:
Base-Base interactions energy: -341.556
where: short stacking energy: -255.900
Base-Backbone interact. energy: -0.354
local terms energy: -524.677674
where:
bonds (distance) C4'-P energy: -152.893
bonds (distance) P-C4' energy: -144.533
flat angles C4'-P-C4' energy: -142.648
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -6.549
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -739.879115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.879115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.879115 (E_RNA)
where:
Base-Base interactions energy: -237.190
where: short stacking energy: -194.322
Base-Backbone interact. energy: 5.735
local terms energy: -508.424455
where:
bonds (distance) C4'-P energy: -153.435
bonds (distance) P-C4' energy: -162.730
flat angles C4'-P-C4' energy: -127.399
flat angles P-C4'-P energy: -82.411
tors. eta vs tors. theta energy: 17.550
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: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -622.136384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.136384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.136384 (E_RNA)
where:
Base-Base interactions energy: -198.397
where: short stacking energy: -158.062
Base-Backbone interact. energy: 0.999
local terms energy: -424.737748
where:
bonds (distance) C4'-P energy: -135.698
bonds (distance) P-C4' energy: -158.330
flat angles C4'-P-C4' energy: -126.039
flat angles P-C4'-P energy: -54.942
tors. eta vs tors. theta energy: 50.272
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1562.254270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.254270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.254270 (E_RNA)
where:
Base-Base interactions energy: -738.227
where: short stacking energy: -600.010
Base-Backbone interact. energy: -2.095
local terms energy: -821.932001
where:
bonds (distance) C4'-P energy: -172.891
bonds (distance) P-C4' energy: -195.950
flat angles C4'-P-C4' energy: -176.987
flat angles P-C4'-P energy: -129.212
tors. eta vs tors. theta energy: -146.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1487.193111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.193111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.193111 (E_RNA)
where:
Base-Base interactions energy: -710.382
where: short stacking energy: -566.587
Base-Backbone interact. energy: -2.984
local terms energy: -773.827143
where:
bonds (distance) C4'-P energy: -179.274
bonds (distance) P-C4' energy: -180.237
flat angles C4'-P-C4' energy: -171.816
flat angles P-C4'-P energy: -113.088
tors. eta vs tors. theta energy: -129.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1373.964129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.964129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.964129 (E_RNA)
where:
Base-Base interactions energy: -627.379
where: short stacking energy: -492.965
Base-Backbone interact. energy: -1.738
local terms energy: -744.847325
where:
bonds (distance) C4'-P energy: -153.987
bonds (distance) P-C4' energy: -187.853
flat angles C4'-P-C4' energy: -177.320
flat angles P-C4'-P energy: -124.134
tors. eta vs tors. theta energy: -101.553
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: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1190.986024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.986024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.986024 (E_RNA)
where:
Base-Base interactions energy: -497.362
where: short stacking energy: -429.969
Base-Backbone interact. energy: -0.912
local terms energy: -692.711892
where:
bonds (distance) C4'-P energy: -185.106
bonds (distance) P-C4' energy: -175.864
flat angles C4'-P-C4' energy: -154.261
flat angles P-C4'-P energy: -99.870
tors. eta vs tors. theta energy: -77.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1238.717135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.717135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.717135 (E_RNA)
where:
Base-Base interactions energy: -588.871
where: short stacking energy: -390.718
Base-Backbone interact. energy: -0.919
local terms energy: -648.926259
where:
bonds (distance) C4'-P energy: -174.524
bonds (distance) P-C4' energy: -148.818
flat angles C4'-P-C4' energy: -166.132
flat angles P-C4'-P energy: -96.542
tors. eta vs tors. theta energy: -62.911
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1065.209107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.209107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.209107 (E_RNA)
where:
Base-Base interactions energy: -460.610
where: short stacking energy: -347.241
Base-Backbone interact. energy: -1.332
local terms energy: -603.267541
where:
bonds (distance) C4'-P energy: -144.654
bonds (distance) P-C4' energy: -159.902
flat angles C4'-P-C4' energy: -159.391
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -47.608
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: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -991.426445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.426445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.426445 (E_RNA)
where:
Base-Base interactions energy: -462.191
where: short stacking energy: -295.896
Base-Backbone interact. energy: -2.672
local terms energy: -526.563776
where:
bonds (distance) C4'-P energy: -136.471
bonds (distance) P-C4' energy: -163.407
flat angles C4'-P-C4' energy: -160.776
flat angles P-C4'-P energy: -57.718
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -953.506879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.506879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.506879 (E_RNA)
where:
Base-Base interactions energy: -419.045
where: short stacking energy: -310.947
Base-Backbone interact. energy: 3.290
local terms energy: -537.752437
where:
bonds (distance) C4'-P energy: -133.120
bonds (distance) P-C4' energy: -167.409
flat angles C4'-P-C4' energy: -135.159
flat angles P-C4'-P energy: -82.646
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -708.526011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.526011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.526011 (E_RNA)
where:
Base-Base interactions energy: -250.383
where: short stacking energy: -197.622
Base-Backbone interact. energy: 3.578
local terms energy: -461.720457
where:
bonds (distance) C4'-P energy: -127.430
bonds (distance) P-C4' energy: -149.396
flat angles C4'-P-C4' energy: -129.106
flat angles P-C4'-P energy: -71.004
tors. eta vs tors. theta energy: 15.216
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -679.273371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.273371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.273371 (E_RNA)
where:
Base-Base interactions energy: -206.814
where: short stacking energy: -199.727
Base-Backbone interact. energy: 4.011
local terms energy: -476.470006
where:
bonds (distance) C4'-P energy: -139.784
bonds (distance) P-C4' energy: -139.724
flat angles C4'-P-C4' energy: -136.003
flat angles P-C4'-P energy: -79.637
tors. eta vs tors. theta energy: 18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1653.533043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.533043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.533043 (E_RNA)
where:
Base-Base interactions energy: -805.143
where: short stacking energy: -653.810
Base-Backbone interact. energy: 1.263
local terms energy: -849.653203
where:
bonds (distance) C4'-P energy: -174.547
bonds (distance) P-C4' energy: -194.095
flat angles C4'-P-C4' energy: -195.649
flat angles P-C4'-P energy: -111.556
tors. eta vs tors. theta energy: -173.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1527.288854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.288854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.288854 (E_RNA)
where:
Base-Base interactions energy: -742.650
where: short stacking energy: -579.326
Base-Backbone interact. energy: -2.894
local terms energy: -781.745227
where:
bonds (distance) C4'-P energy: -165.508
bonds (distance) P-C4' energy: -176.049
flat angles C4'-P-C4' energy: -186.013
flat angles P-C4'-P energy: -117.024
tors. eta vs tors. theta energy: -137.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1462.681324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.681324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.681324 (E_RNA)
where:
Base-Base interactions energy: -712.253
where: short stacking energy: -483.583
Base-Backbone interact. energy: -1.652
local terms energy: -748.776281
where:
bonds (distance) C4'-P energy: -169.952
bonds (distance) P-C4' energy: -188.278
flat angles C4'-P-C4' energy: -176.766
flat angles P-C4'-P energy: -113.964
tors. eta vs tors. theta energy: -99.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1360.200998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.200998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.200998 (E_RNA)
where:
Base-Base interactions energy: -647.955
where: short stacking energy: -477.246
Base-Backbone interact. energy: -2.399
local terms energy: -709.846613
where:
bonds (distance) C4'-P energy: -176.869
bonds (distance) P-C4' energy: -173.425
flat angles C4'-P-C4' energy: -158.703
flat angles P-C4'-P energy: -119.242
tors. eta vs tors. theta energy: -81.607
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: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1117.336837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.336837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.336837 (E_RNA)
where:
Base-Base interactions energy: -459.871
where: short stacking energy: -372.167
Base-Backbone interact. energy: -2.003
local terms energy: -655.462918
where:
bonds (distance) C4'-P energy: -154.599
bonds (distance) P-C4' energy: -165.655
flat angles C4'-P-C4' energy: -170.299
flat angles P-C4'-P energy: -108.413
tors. eta vs tors. theta energy: -56.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1094.483859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.483859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.483859 (E_RNA)
where:
Base-Base interactions energy: -503.764
where: short stacking energy: -361.005
Base-Backbone interact. energy: 4.046
local terms energy: -594.765961
where:
bonds (distance) C4'-P energy: -163.696
bonds (distance) P-C4' energy: -158.630
flat angles C4'-P-C4' energy: -154.023
flat angles P-C4'-P energy: -79.409
tors. eta vs tors. theta energy: -39.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1049.843345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.843345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.843345 (E_RNA)
where:
Base-Base interactions energy: -474.620
where: short stacking energy: -289.239
Base-Backbone interact. energy: -0.789
local terms energy: -574.435144
where:
bonds (distance) C4'-P energy: -137.667
bonds (distance) P-C4' energy: -171.314
flat angles C4'-P-C4' energy: -151.304
flat angles P-C4'-P energy: -102.014
tors. eta vs tors. theta energy: -12.136
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -945.505328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.505328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.505328 (E_RNA)
where:
Base-Base interactions energy: -413.822
where: short stacking energy: -280.512
Base-Backbone interact. energy: 1.824
local terms energy: -533.506844
where:
bonds (distance) C4'-P energy: -144.757
bonds (distance) P-C4' energy: -157.815
flat angles C4'-P-C4' energy: -115.169
flat angles P-C4'-P energy: -93.479
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -733.759874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.759874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.759874 (E_RNA)
where:
Base-Base interactions energy: -262.556
where: short stacking energy: -224.706
Base-Backbone interact. energy: 5.736
local terms energy: -476.939596
where:
bonds (distance) C4'-P energy: -149.418
bonds (distance) P-C4' energy: -160.734
flat angles C4'-P-C4' energy: -131.891
flat angles P-C4'-P energy: -75.782
tors. eta vs tors. theta energy: 40.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -748.526416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.526416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.526416 (E_RNA)
where:
Base-Base interactions energy: -313.548
where: short stacking energy: -193.766
Base-Backbone interact. energy: -0.988
local terms energy: -433.990527
where:
bonds (distance) C4'-P energy: -122.935
bonds (distance) P-C4' energy: -164.196
flat angles C4'-P-C4' energy: -117.764
flat angles P-C4'-P energy: -66.364
tors. eta vs tors. theta energy: 37.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1677.995867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.995867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.995867 (E_RNA)
where:
Base-Base interactions energy: -818.778
where: short stacking energy: -655.730
Base-Backbone interact. energy: -1.938
local terms energy: -857.279624
where:
bonds (distance) C4'-P energy: -163.502
bonds (distance) P-C4' energy: -189.508
flat angles C4'-P-C4' energy: -178.824
flat angles P-C4'-P energy: -136.988
tors. eta vs tors. theta energy: -188.458
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1594.402419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.402419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.402419 (E_RNA)
where:
Base-Base interactions energy: -811.569
where: short stacking energy: -544.153
Base-Backbone interact. energy: -2.860
local terms energy: -779.973850
where:
bonds (distance) C4'-P energy: -172.357
bonds (distance) P-C4' energy: -180.608
flat angles C4'-P-C4' energy: -183.881
flat angles P-C4'-P energy: -124.453
tors. eta vs tors. theta energy: -118.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1544.445673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.445673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.445673 (E_RNA)
where:
Base-Base interactions energy: -786.651
where: short stacking energy: -524.678
Base-Backbone interact. energy: -1.846
local terms energy: -755.948510
where:
bonds (distance) C4'-P energy: -178.804
bonds (distance) P-C4' energy: -147.785
flat angles C4'-P-C4' energy: -181.307
flat angles P-C4'-P energy: -115.022
tors. eta vs tors. theta energy: -133.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1348.734739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.734739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.734739 (E_RNA)
where:
Base-Base interactions energy: -690.529
where: short stacking energy: -418.165
Base-Backbone interact. energy: -3.713
local terms energy: -654.492114
where:
bonds (distance) C4'-P energy: -163.690
bonds (distance) P-C4' energy: -167.959
flat angles C4'-P-C4' energy: -167.027
flat angles P-C4'-P energy: -95.524
tors. eta vs tors. theta energy: -60.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1135.065054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.065054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.065054 (E_RNA)
where:
Base-Base interactions energy: -485.874
where: short stacking energy: -390.277
Base-Backbone interact. energy: -0.002
local terms energy: -649.188301
where:
bonds (distance) C4'-P energy: -147.415
bonds (distance) P-C4' energy: -185.707
flat angles C4'-P-C4' energy: -164.981
flat angles P-C4'-P energy: -91.152
tors. eta vs tors. theta energy: -59.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1133.375291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.375291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.375291 (E_RNA)
where:
Base-Base interactions energy: -532.168
where: short stacking energy: -385.962
Base-Backbone interact. energy: -2.046
local terms energy: -599.160822
where:
bonds (distance) C4'-P energy: -153.119
bonds (distance) P-C4' energy: -162.899
flat angles C4'-P-C4' energy: -153.487
flat angles P-C4'-P energy: -91.040
tors. eta vs tors. theta energy: -38.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -982.642949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.642949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.642949 (E_RNA)
where:
Base-Base interactions energy: -420.515
where: short stacking energy: -272.953
Base-Backbone interact. energy: -3.268
local terms energy: -558.860472
where:
bonds (distance) C4'-P energy: -145.687
bonds (distance) P-C4' energy: -174.319
flat angles C4'-P-C4' energy: -142.024
flat angles P-C4'-P energy: -84.367
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1033.945029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.945029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.945029 (E_RNA)
where:
Base-Base interactions energy: -486.936
where: short stacking energy: -305.471
Base-Backbone interact. energy: 0.620
local terms energy: -547.629659
where:
bonds (distance) C4'-P energy: -153.726
bonds (distance) P-C4' energy: -161.322
flat angles C4'-P-C4' energy: -141.440
flat angles P-C4'-P energy: -68.253
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -825.850500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.850500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.850500 (E_RNA)
where:
Base-Base interactions energy: -335.032
where: short stacking energy: -201.505
Base-Backbone interact. energy: 0.471
local terms energy: -491.289890
where:
bonds (distance) C4'-P energy: -158.831
bonds (distance) P-C4' energy: -155.762
flat angles C4'-P-C4' energy: -131.035
flat angles P-C4'-P energy: -59.991
tors. eta vs tors. theta energy: 14.330
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -679.714645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.714645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.714645 (E_RNA)
where:
Base-Base interactions energy: -218.961
where: short stacking energy: -193.490
Base-Backbone interact. energy: 6.669
local terms energy: -467.422456
where:
bonds (distance) C4'-P energy: -144.020
bonds (distance) P-C4' energy: -161.866
flat angles C4'-P-C4' energy: -134.604
flat angles P-C4'-P energy: -52.551
tors. eta vs tors. theta energy: 25.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1722.206554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.206554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.206554 (E_RNA)
where:
Base-Base interactions energy: -875.266
where: short stacking energy: -647.921
Base-Backbone interact. energy: 1.820
local terms energy: -848.760803
where:
bonds (distance) C4'-P energy: -191.137
bonds (distance) P-C4' energy: -167.318
flat angles C4'-P-C4' energy: -192.703
flat angles P-C4'-P energy: -128.403
tors. eta vs tors. theta energy: -169.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1726.889053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.889053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.889053 (E_RNA)
where:
Base-Base interactions energy: -885.077
where: short stacking energy: -596.994
Base-Backbone interact. energy: -2.915
local terms energy: -838.897763
where:
bonds (distance) C4'-P energy: -163.585
bonds (distance) P-C4' energy: -182.486
flat angles C4'-P-C4' energy: -199.549
flat angles P-C4'-P energy: -120.166
tors. eta vs tors. theta energy: -173.112
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1568.317087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.317087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.317087 (E_RNA)
where:
Base-Base interactions energy: -817.851
where: short stacking energy: -582.816
Base-Backbone interact. energy: 1.005
local terms energy: -751.470726
where:
bonds (distance) C4'-P energy: -136.947
bonds (distance) P-C4' energy: -184.540
flat angles C4'-P-C4' energy: -180.124
flat angles P-C4'-P energy: -120.450
tors. eta vs tors. theta energy: -129.409
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: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1346.300265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.300265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.300265 (E_RNA)
where:
Base-Base interactions energy: -660.148
where: short stacking energy: -470.578
Base-Backbone interact. energy: 0.888
local terms energy: -687.040286
where:
bonds (distance) C4'-P energy: -160.489
bonds (distance) P-C4' energy: -179.340
flat angles C4'-P-C4' energy: -178.404
flat angles P-C4'-P energy: -76.860
tors. eta vs tors. theta energy: -91.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1287.658359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.658359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.658359 (E_RNA)
where:
Base-Base interactions energy: -626.426
where: short stacking energy: -407.327
Base-Backbone interact. energy: 0.957
local terms energy: -662.188820
where:
bonds (distance) C4'-P energy: -155.345
bonds (distance) P-C4' energy: -171.993
flat angles C4'-P-C4' energy: -170.918
flat angles P-C4'-P energy: -99.783
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1098.543863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.543863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.543863 (E_RNA)
where:
Base-Base interactions energy: -495.635
where: short stacking energy: -325.122
Base-Backbone interact. energy: -1.381
local terms energy: -601.527951
where:
bonds (distance) C4'-P energy: -162.431
bonds (distance) P-C4' energy: -158.950
flat angles C4'-P-C4' energy: -133.677
flat angles P-C4'-P energy: -99.457
tors. eta vs tors. theta energy: -47.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -932.328294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.328294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.328294 (E_RNA)
where:
Base-Base interactions energy: -403.464
where: short stacking energy: -295.150
Base-Backbone interact. energy: 3.655
local terms energy: -532.519546
where:
bonds (distance) C4'-P energy: -139.081
bonds (distance) P-C4' energy: -160.454
flat angles C4'-P-C4' energy: -134.729
flat angles P-C4'-P energy: -82.439
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1015.175377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.175377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.175377 (E_RNA)
where:
Base-Base interactions energy: -517.171
where: short stacking energy: -312.969
Base-Backbone interact. energy: 0.125
local terms energy: -498.129819
where:
bonds (distance) C4'-P energy: -141.070
bonds (distance) P-C4' energy: -161.100
flat angles C4'-P-C4' energy: -101.192
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -823.333210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.333210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.333210 (E_RNA)
where:
Base-Base interactions energy: -342.415
where: short stacking energy: -242.850
Base-Backbone interact. energy: -3.328
local terms energy: -477.589682
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -149.789
flat angles C4'-P-C4' energy: -126.805
flat angles P-C4'-P energy: -63.533
tors. eta vs tors. theta energy: 8.458
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: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -710.227540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.227540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.227540 (E_RNA)
where:
Base-Base interactions energy: -233.709
where: short stacking energy: -200.244
Base-Backbone interact. energy: 1.402
local terms energy: -477.920970
where:
bonds (distance) C4'-P energy: -159.063
bonds (distance) P-C4' energy: -141.368
flat angles C4'-P-C4' energy: -124.002
flat angles P-C4'-P energy: -75.112
tors. eta vs tors. theta energy: 21.623
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1754.573350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.573350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.573350 (E_RNA)
where:
Base-Base interactions energy: -884.762
where: short stacking energy: -654.523
Base-Backbone interact. energy: -1.775
local terms energy: -868.035791
where:
bonds (distance) C4'-P energy: -184.447
bonds (distance) P-C4' energy: -191.188
flat angles C4'-P-C4' energy: -187.463
flat angles P-C4'-P energy: -137.774
tors. eta vs tors. theta energy: -167.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1642.572631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.572631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.572631 (E_RNA)
where:
Base-Base interactions energy: -853.237
where: short stacking energy: -615.065
Base-Backbone interact. energy: 0.398
local terms energy: -789.733850
where:
bonds (distance) C4'-P energy: -163.357
bonds (distance) P-C4' energy: -193.420
flat angles C4'-P-C4' energy: -172.794
flat angles P-C4'-P energy: -117.750
tors. eta vs tors. theta energy: -142.413
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: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1663.994450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.994450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.994450 (E_RNA)
where:
Base-Base interactions energy: -860.362
where: short stacking energy: -561.977
Base-Backbone interact. energy: -2.068
local terms energy: -801.565379
where:
bonds (distance) C4'-P energy: -180.886
bonds (distance) P-C4' energy: -192.314
flat angles C4'-P-C4' energy: -170.541
flat angles P-C4'-P energy: -116.016
tors. eta vs tors. theta energy: -141.808
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: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1371.093603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.093603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.093603 (E_RNA)
where:
Base-Base interactions energy: -630.845
where: short stacking energy: -432.687
Base-Backbone interact. energy: -3.017
local terms energy: -737.232117
where:
bonds (distance) C4'-P energy: -182.779
bonds (distance) P-C4' energy: -179.058
flat angles C4'-P-C4' energy: -183.531
flat angles P-C4'-P energy: -98.990
tors. eta vs tors. theta energy: -92.875
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: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1306.520689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.520689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.520689 (E_RNA)
where:
Base-Base interactions energy: -643.114
where: short stacking energy: -416.833
Base-Backbone interact. energy: -2.192
local terms energy: -661.214952
where:
bonds (distance) C4'-P energy: -159.124
bonds (distance) P-C4' energy: -178.377
flat angles C4'-P-C4' energy: -155.559
flat angles P-C4'-P energy: -99.302
tors. eta vs tors. theta energy: -68.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1230.990431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.990431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.990431 (E_RNA)
where:
Base-Base interactions energy: -638.475
where: short stacking energy: -370.012
Base-Backbone interact. energy: -0.664
local terms energy: -591.851742
where:
bonds (distance) C4'-P energy: -140.648
bonds (distance) P-C4' energy: -180.922
flat angles C4'-P-C4' energy: -144.687
flat angles P-C4'-P energy: -80.132
tors. eta vs tors. theta energy: -45.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1180.958391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.958391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.958391 (E_RNA)
where:
Base-Base interactions energy: -615.610
where: short stacking energy: -345.332
Base-Backbone interact. energy: -4.903
local terms energy: -560.445538
where:
bonds (distance) C4'-P energy: -147.162
bonds (distance) P-C4' energy: -139.187
flat angles C4'-P-C4' energy: -141.867
flat angles P-C4'-P energy: -98.567
tors. eta vs tors. theta energy: -33.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -866.758649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.758649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.758649 (E_RNA)
where:
Base-Base interactions energy: -348.271
where: short stacking energy: -225.341
Base-Backbone interact. energy: 0.225
local terms energy: -518.712543
where:
bonds (distance) C4'-P energy: -155.386
bonds (distance) P-C4' energy: -162.656
flat angles C4'-P-C4' energy: -137.494
flat angles P-C4'-P energy: -73.456
tors. eta vs tors. theta energy: 10.280
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: 12
Temperature: 1.300000
Total energy: -869.552453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.552453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.552453 (E_RNA)
where:
Base-Base interactions energy: -412.354
where: short stacking energy: -267.335
Base-Backbone interact. energy: 7.254
local terms energy: -464.452993
where:
bonds (distance) C4'-P energy: -126.489
bonds (distance) P-C4' energy: -158.760
flat angles C4'-P-C4' energy: -128.190
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -3.338
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: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -687.012313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.012313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.012313 (E_RNA)
where:
Base-Base interactions energy: -217.386
where: short stacking energy: -175.014
Base-Backbone interact. energy: 0.847
local terms energy: -470.473596
where:
bonds (distance) C4'-P energy: -135.927
bonds (distance) P-C4' energy: -154.206
flat angles C4'-P-C4' energy: -126.744
flat angles P-C4'-P energy: -82.935
tors. eta vs tors. theta energy: 29.338
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1800.944348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.944348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.944348 (E_RNA)
where:
Base-Base interactions energy: -942.798
where: short stacking energy: -693.282
Base-Backbone interact. energy: 0.078
local terms energy: -858.224744
where:
bonds (distance) C4'-P energy: -190.327
bonds (distance) P-C4' energy: -176.015
flat angles C4'-P-C4' energy: -197.668
flat angles P-C4'-P energy: -122.534
tors. eta vs tors. theta energy: -171.681
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1717.325650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.325650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.325650 (E_RNA)
where:
Base-Base interactions energy: -904.251
where: short stacking energy: -601.859
Base-Backbone interact. energy: -1.311
local terms energy: -811.763675
where:
bonds (distance) C4'-P energy: -171.962
bonds (distance) P-C4' energy: -181.609
flat angles C4'-P-C4' energy: -185.842
flat angles P-C4'-P energy: -118.650
tors. eta vs tors. theta energy: -153.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1704.282255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.282255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.282255 (E_RNA)
where:
Base-Base interactions energy: -954.116
where: short stacking energy: -590.062
Base-Backbone interact. energy: -3.361
local terms energy: -746.805636
where:
bonds (distance) C4'-P energy: -159.584
bonds (distance) P-C4' energy: -167.099
flat angles C4'-P-C4' energy: -204.246
flat angles P-C4'-P energy: -97.450
tors. eta vs tors. theta energy: -118.427
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1385.014029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.014029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.014029 (E_RNA)
where:
Base-Base interactions energy: -686.221
where: short stacking energy: -465.393
Base-Backbone interact. energy: -3.443
local terms energy: -695.349418
where:
bonds (distance) C4'-P energy: -179.377
bonds (distance) P-C4' energy: -164.362
flat angles C4'-P-C4' energy: -168.430
flat angles P-C4'-P energy: -90.307
tors. eta vs tors. theta energy: -92.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1357.849152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.849152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.849152 (E_RNA)
where:
Base-Base interactions energy: -691.756
where: short stacking energy: -434.300
Base-Backbone interact. energy: -2.732
local terms energy: -663.360757
where:
bonds (distance) C4'-P energy: -146.247
bonds (distance) P-C4' energy: -163.845
flat angles C4'-P-C4' energy: -173.930
flat angles P-C4'-P energy: -101.512
tors. eta vs tors. theta energy: -77.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1355.164996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.164996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.164996 (E_RNA)
where:
Base-Base interactions energy: -725.053
where: short stacking energy: -410.129
Base-Backbone interact. energy: 7.054
local terms energy: -637.166049
where:
bonds (distance) C4'-P energy: -159.591
bonds (distance) P-C4' energy: -156.497
flat angles C4'-P-C4' energy: -155.995
flat angles P-C4'-P energy: -90.429
tors. eta vs tors. theta energy: -74.654
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: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1076.113502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.113502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.113502 (E_RNA)
where:
Base-Base interactions energy: -550.405
where: short stacking energy: -326.157
Base-Backbone interact. energy: 4.100
local terms energy: -529.809067
where:
bonds (distance) C4'-P energy: -132.063
bonds (distance) P-C4' energy: -148.558
flat angles C4'-P-C4' energy: -118.147
flat angles P-C4'-P energy: -87.702
tors. eta vs tors. theta energy: -43.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1010.984379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.984379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.984379 (E_RNA)
where:
Base-Base interactions energy: -506.353
where: short stacking energy: -307.507
Base-Backbone interact. energy: 0.856
local terms energy: -505.487606
where:
bonds (distance) C4'-P energy: -147.006
bonds (distance) P-C4' energy: -149.525
flat angles C4'-P-C4' energy: -109.802
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -816.181474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.181474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.181474 (E_RNA)
where:
Base-Base interactions energy: -310.264
where: short stacking energy: -249.640
Base-Backbone interact. energy: 0.917
local terms energy: -506.834379
where:
bonds (distance) C4'-P energy: -140.693
bonds (distance) P-C4' energy: -155.568
flat angles C4'-P-C4' energy: -131.192
flat angles P-C4'-P energy: -85.485
tors. eta vs tors. theta energy: 6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -642.585517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.585517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.585517 (E_RNA)
where:
Base-Base interactions energy: -239.277
where: short stacking energy: -164.159
Base-Backbone interact. energy: 13.575
local terms energy: -416.882922
where:
bonds (distance) C4'-P energy: -137.144
bonds (distance) P-C4' energy: -136.737
flat angles C4'-P-C4' energy: -124.942
flat angles P-C4'-P energy: -60.511
tors. eta vs tors. theta energy: 42.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1829.896387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.896387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.896387 (E_RNA)
where:
Base-Base interactions energy: -969.405
where: short stacking energy: -672.042
Base-Backbone interact. energy: 0.828
local terms energy: -861.319055
where:
bonds (distance) C4'-P energy: -164.913
bonds (distance) P-C4' energy: -192.781
flat angles C4'-P-C4' energy: -205.836
flat angles P-C4'-P energy: -120.639
tors. eta vs tors. theta energy: -177.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1689.761342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.761342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.761342 (E_RNA)
where:
Base-Base interactions energy: -878.378
where: short stacking energy: -559.643
Base-Backbone interact. energy: -1.799
local terms energy: -809.583964
where:
bonds (distance) C4'-P energy: -169.731
bonds (distance) P-C4' energy: -183.176
flat angles C4'-P-C4' energy: -196.784
flat angles P-C4'-P energy: -123.639
tors. eta vs tors. theta energy: -136.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1732.534380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.534380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.534380 (E_RNA)
where:
Base-Base interactions energy: -965.114
where: short stacking energy: -587.781
Base-Backbone interact. energy: -1.470
local terms energy: -765.950603
where:
bonds (distance) C4'-P energy: -167.085
bonds (distance) P-C4' energy: -163.840
flat angles C4'-P-C4' energy: -178.935
flat angles P-C4'-P energy: -118.497
tors. eta vs tors. theta energy: -137.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1375.647560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.647560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.647560 (E_RNA)
where:
Base-Base interactions energy: -674.346
where: short stacking energy: -396.365
Base-Backbone interact. energy: -3.417
local terms energy: -697.884467
where:
bonds (distance) C4'-P energy: -183.351
bonds (distance) P-C4' energy: -166.660
flat angles C4'-P-C4' energy: -171.558
flat angles P-C4'-P energy: -105.872
tors. eta vs tors. theta energy: -70.443
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: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1465.136213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.136213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.136213 (E_RNA)
where:
Base-Base interactions energy: -770.485
where: short stacking energy: -444.946
Base-Backbone interact. energy: -1.305
local terms energy: -693.345934
where:
bonds (distance) C4'-P energy: -173.110
bonds (distance) P-C4' energy: -171.681
flat angles C4'-P-C4' energy: -161.948
flat angles P-C4'-P energy: -98.703
tors. eta vs tors. theta energy: -87.904
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: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1284.893112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.893112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.893112 (E_RNA)
where:
Base-Base interactions energy: -656.031
where: short stacking energy: -413.827
Base-Backbone interact. energy: -1.316
local terms energy: -627.546222
where:
bonds (distance) C4'-P energy: -147.256
bonds (distance) P-C4' energy: -172.557
flat angles C4'-P-C4' energy: -152.080
flat angles P-C4'-P energy: -86.061
tors. eta vs tors. theta energy: -69.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1119.901351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.901351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.901351 (E_RNA)
where:
Base-Base interactions energy: -534.877
where: short stacking energy: -342.372
Base-Backbone interact. energy: 3.887
local terms energy: -588.911511
where:
bonds (distance) C4'-P energy: -150.136
bonds (distance) P-C4' energy: -153.123
flat angles C4'-P-C4' energy: -158.060
flat angles P-C4'-P energy: -95.833
tors. eta vs tors. theta energy: -31.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -975.288859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.288859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.288859 (E_RNA)
where:
Base-Base interactions energy: -433.951
where: short stacking energy: -279.225
Base-Backbone interact. energy: -3.478
local terms energy: -537.860002
where:
bonds (distance) C4'-P energy: -142.125
bonds (distance) P-C4' energy: -167.144
flat angles C4'-P-C4' energy: -147.341
flat angles P-C4'-P energy: -77.914
tors. eta vs tors. theta energy: -3.335
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: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -750.192243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.192243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.192243 (E_RNA)
where:
Base-Base interactions energy: -277.497
where: short stacking energy: -208.011
Base-Backbone interact. energy: -0.594
local terms energy: -472.101135
where:
bonds (distance) C4'-P energy: -166.911
bonds (distance) P-C4' energy: -141.344
flat angles C4'-P-C4' energy: -122.069
flat angles P-C4'-P energy: -74.939
tors. eta vs tors. theta energy: 33.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -689.805559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.805559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.805559 (E_RNA)
where:
Base-Base interactions energy: -260.861
where: short stacking energy: -191.540
Base-Backbone interact. energy: 3.983
local terms energy: -432.927919
where:
bonds (distance) C4'-P energy: -139.725
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -93.974
flat angles P-C4'-P energy: -88.643
tors. eta vs tors. theta energy: 36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1827.758620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.758620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.758620 (E_RNA)
where:
Base-Base interactions energy: -984.295
where: short stacking energy: -666.595
Base-Backbone interact. energy: 2.341
local terms energy: -845.804178
where:
bonds (distance) C4'-P energy: -182.324
bonds (distance) P-C4' energy: -184.948
flat angles C4'-P-C4' energy: -187.617
flat angles P-C4'-P energy: -128.178
tors. eta vs tors. theta energy: -162.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1875.982007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.982007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.982007 (E_RNA)
where:
Base-Base interactions energy: -1059.323
where: short stacking energy: -632.605
Base-Backbone interact. energy: 0.475
local terms energy: -817.134789
where:
bonds (distance) C4'-P energy: -166.479
bonds (distance) P-C4' energy: -190.448
flat angles C4'-P-C4' energy: -188.155
flat angles P-C4'-P energy: -118.772
tors. eta vs tors. theta energy: -153.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1616.342923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.342923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.342923 (E_RNA)
where:
Base-Base interactions energy: -865.814
where: short stacking energy: -541.907
Base-Backbone interact. energy: 1.358
local terms energy: -751.887020
where:
bonds (distance) C4'-P energy: -160.147
bonds (distance) P-C4' energy: -165.285
flat angles C4'-P-C4' energy: -177.070
flat angles P-C4'-P energy: -111.837
tors. eta vs tors. theta energy: -137.548
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: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1632.106312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.106312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.106312 (E_RNA)
where:
Base-Base interactions energy: -880.618
where: short stacking energy: -524.508
Base-Backbone interact. energy: -2.463
local terms energy: -749.024859
where:
bonds (distance) C4'-P energy: -179.522
bonds (distance) P-C4' energy: -168.028
flat angles C4'-P-C4' energy: -167.478
flat angles P-C4'-P energy: -101.851
tors. eta vs tors. theta energy: -132.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1365.375135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.375135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.375135 (E_RNA)
where:
Base-Base interactions energy: -715.383
where: short stacking energy: -384.909
Base-Backbone interact. energy: 1.460
local terms energy: -651.451777
where:
bonds (distance) C4'-P energy: -151.238
bonds (distance) P-C4' energy: -179.575
flat angles C4'-P-C4' energy: -156.137
flat angles P-C4'-P energy: -107.450
tors. eta vs tors. theta energy: -57.052
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: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1294.690798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.690798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.690798 (E_RNA)
where:
Base-Base interactions energy: -659.803
where: short stacking energy: -392.363
Base-Backbone interact. energy: -1.846
local terms energy: -633.041817
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -165.596
flat angles C4'-P-C4' energy: -162.979
flat angles P-C4'-P energy: -94.254
tors. eta vs tors. theta energy: -66.654
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: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1177.959274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.959274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.959274 (E_RNA)
where:
Base-Base interactions energy: -599.538
where: short stacking energy: -344.656
Base-Backbone interact. energy: 1.419
local terms energy: -579.840138
where:
bonds (distance) C4'-P energy: -164.319
bonds (distance) P-C4' energy: -160.163
flat angles C4'-P-C4' energy: -149.478
flat angles P-C4'-P energy: -88.366
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -986.336210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.336210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.336210 (E_RNA)
where:
Base-Base interactions energy: -459.740
where: short stacking energy: -266.470
Base-Backbone interact. energy: -4.226
local terms energy: -522.370367
where:
bonds (distance) C4'-P energy: -139.452
bonds (distance) P-C4' energy: -176.894
flat angles C4'-P-C4' energy: -141.962
flat angles P-C4'-P energy: -58.143
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -789.356313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.356313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.356313 (E_RNA)
where:
Base-Base interactions energy: -309.848
where: short stacking energy: -212.891
Base-Backbone interact. energy: 4.362
local terms energy: -483.871008
where:
bonds (distance) C4'-P energy: -156.582
bonds (distance) P-C4' energy: -152.304
flat angles C4'-P-C4' energy: -101.688
flat angles P-C4'-P energy: -86.246
tors. eta vs tors. theta energy: 12.951
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: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -781.786326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.786326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.786326 (E_RNA)
where:
Base-Base interactions energy: -323.325
where: short stacking energy: -211.453
Base-Backbone interact. energy: 5.770
local terms energy: -464.231222
where:
bonds (distance) C4'-P energy: -144.026
bonds (distance) P-C4' energy: -147.297
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -58.560
tors. eta vs tors. theta energy: 9.175
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: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2028.551989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.551989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.551989 (E_RNA)
where:
Base-Base interactions energy: -1182.926
where: short stacking energy: -685.778
Base-Backbone interact. energy: -0.831
local terms energy: -844.795895
where:
bonds (distance) C4'-P energy: -170.585
bonds (distance) P-C4' energy: -183.232
flat angles C4'-P-C4' energy: -187.936
flat angles P-C4'-P energy: -135.013
tors. eta vs tors. theta energy: -168.030
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: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1715.029144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.029144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.029144 (E_RNA)
where:
Base-Base interactions energy: -891.319
where: short stacking energy: -568.705
Base-Backbone interact. energy: -1.227
local terms energy: -822.482912
where:
bonds (distance) C4'-P energy: -188.528
bonds (distance) P-C4' energy: -176.901
flat angles C4'-P-C4' energy: -195.592
flat angles P-C4'-P energy: -121.735
tors. eta vs tors. theta energy: -139.727
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: 16
Temperature: 1.000000
Total energy: -1629.418306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.418306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.418306 (E_RNA)
where:
Base-Base interactions energy: -860.041
where: short stacking energy: -552.610
Base-Backbone interact. energy: 0.630
local terms energy: -770.007454
where:
bonds (distance) C4'-P energy: -167.255
bonds (distance) P-C4' energy: -179.581
flat angles C4'-P-C4' energy: -188.171
flat angles P-C4'-P energy: -103.907
tors. eta vs tors. theta energy: -131.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1713.242889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.242889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.242889 (E_RNA)
where:
Base-Base interactions energy: -937.726
where: short stacking energy: -516.747
Base-Backbone interact. energy: -4.309
local terms energy: -771.208097
where:
bonds (distance) C4'-P energy: -186.313
bonds (distance) P-C4' energy: -177.039
flat angles C4'-P-C4' energy: -180.702
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -130.757
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: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1439.269261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.269261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.269261 (E_RNA)
where:
Base-Base interactions energy: -771.160
where: short stacking energy: -400.254
Base-Backbone interact. energy: -1.207
local terms energy: -666.902128
where:
bonds (distance) C4'-P energy: -155.437
bonds (distance) P-C4' energy: -165.638
flat angles C4'-P-C4' energy: -164.531
flat angles P-C4'-P energy: -98.144
tors. eta vs tors. theta energy: -83.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1300.165249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.165249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.165249 (E_RNA)
where:
Base-Base interactions energy: -707.949
where: short stacking energy: -396.949
Base-Backbone interact. energy: -1.473
local terms energy: -590.743364
where:
bonds (distance) C4'-P energy: -153.303
bonds (distance) P-C4' energy: -152.962
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -86.294
tors. eta vs tors. theta energy: -50.727
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: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1149.275223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.275223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.275223 (E_RNA)
where:
Base-Base interactions energy: -623.376
where: short stacking energy: -358.511
Base-Backbone interact. energy: -2.095
local terms energy: -523.804649
where:
bonds (distance) C4'-P energy: -124.021
bonds (distance) P-C4' energy: -153.050
flat angles C4'-P-C4' energy: -133.634
flat angles P-C4'-P energy: -89.185
tors. eta vs tors. theta energy: -23.915
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: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1012.365111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.365111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.365111 (E_RNA)
where:
Base-Base interactions energy: -500.259
where: short stacking energy: -296.708
Base-Backbone interact. energy: -2.451
local terms energy: -509.654834
where:
bonds (distance) C4'-P energy: -134.278
bonds (distance) P-C4' energy: -147.975
flat angles C4'-P-C4' energy: -155.114
flat angles P-C4'-P energy: -57.553
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: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -808.347001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.347001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.347001 (E_RNA)
where:
Base-Base interactions energy: -306.570
where: short stacking energy: -238.638
Base-Backbone interact. energy: -4.562
local terms energy: -497.215460
where:
bonds (distance) C4'-P energy: -128.931
bonds (distance) P-C4' energy: -171.945
flat angles C4'-P-C4' energy: -133.117
flat angles P-C4'-P energy: -70.891
tors. eta vs tors. theta energy: 7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -661.612624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.612624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.612624 (E_RNA)
where:
Base-Base interactions energy: -194.832
where: short stacking energy: -167.528
Base-Backbone interact. energy: -0.395
local terms energy: -466.385705
where:
bonds (distance) C4'-P energy: -126.571
bonds (distance) P-C4' energy: -164.337
flat angles C4'-P-C4' energy: -119.459
flat angles P-C4'-P energy: -95.499
tors. eta vs tors. theta energy: 39.479
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: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2041.062208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.062208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.062208 (E_RNA)
where:
Base-Base interactions energy: -1151.055
where: short stacking energy: -648.252
Base-Backbone interact. energy: -3.024
local terms energy: -886.983728
where:
bonds (distance) C4'-P energy: -187.231
bonds (distance) P-C4' energy: -193.851
flat angles C4'-P-C4' energy: -195.454
flat angles P-C4'-P energy: -135.839
tors. eta vs tors. theta energy: -174.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1758.369847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.369847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.369847 (E_RNA)
where:
Base-Base interactions energy: -960.345
where: short stacking energy: -628.308
Base-Backbone interact. energy: 0.786
local terms energy: -798.810387
where:
bonds (distance) C4'-P energy: -171.289
bonds (distance) P-C4' energy: -179.617
flat angles C4'-P-C4' energy: -195.758
flat angles P-C4'-P energy: -95.578
tors. eta vs tors. theta energy: -156.568
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: 17
Temperature: 1.000000
Total energy: -1724.514883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.514883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.514883 (E_RNA)
where:
Base-Base interactions energy: -965.863
where: short stacking energy: -580.247
Base-Backbone interact. energy: -0.500
local terms energy: -758.152441
where:
bonds (distance) C4'-P energy: -169.155
bonds (distance) P-C4' energy: -182.165
flat angles C4'-P-C4' energy: -172.996
flat angles P-C4'-P energy: -93.401
tors. eta vs tors. theta energy: -140.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1672.685552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.685552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.685552 (E_RNA)
where:
Base-Base interactions energy: -944.550
where: short stacking energy: -500.817
Base-Backbone interact. energy: -1.933
local terms energy: -726.202532
where:
bonds (distance) C4'-P energy: -150.370
bonds (distance) P-C4' energy: -172.278
flat angles C4'-P-C4' energy: -172.848
flat angles P-C4'-P energy: -118.321
tors. eta vs tors. theta energy: -112.385
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: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1522.302524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.302524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.302524 (E_RNA)
where:
Base-Base interactions energy: -853.728
where: short stacking energy: -501.325
Base-Backbone interact. energy: 3.657
local terms energy: -672.231953
where:
bonds (distance) C4'-P energy: -152.488
bonds (distance) P-C4' energy: -154.121
flat angles C4'-P-C4' energy: -156.989
flat angles P-C4'-P energy: -116.457
tors. eta vs tors. theta energy: -92.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1265.234740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.234740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.234740 (E_RNA)
where:
Base-Base interactions energy: -677.565
where: short stacking energy: -394.610
Base-Backbone interact. energy: 2.623
local terms energy: -590.293185
where:
bonds (distance) C4'-P energy: -144.449
bonds (distance) P-C4' energy: -156.995
flat angles C4'-P-C4' energy: -144.898
flat angles P-C4'-P energy: -95.263
tors. eta vs tors. theta energy: -48.689
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1187.845148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.845148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.845148 (E_RNA)
where:
Base-Base interactions energy: -603.342
where: short stacking energy: -367.106
Base-Backbone interact. energy: 6.487
local terms energy: -590.989691
where:
bonds (distance) C4'-P energy: -136.716
bonds (distance) P-C4' energy: -163.491
flat angles C4'-P-C4' energy: -144.849
flat angles P-C4'-P energy: -91.045
tors. eta vs tors. theta energy: -54.888
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: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -885.639283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.639283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.639283 (E_RNA)
where:
Base-Base interactions energy: -358.731
where: short stacking energy: -256.325
Base-Backbone interact. energy: -1.172
local terms energy: -525.736421
where:
bonds (distance) C4'-P energy: -140.074
bonds (distance) P-C4' energy: -142.059
flat angles C4'-P-C4' energy: -147.752
flat angles P-C4'-P energy: -85.477
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -815.903629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.903629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.903629 (E_RNA)
where:
Base-Base interactions energy: -305.734
where: short stacking energy: -227.932
Base-Backbone interact. energy: -3.906
local terms energy: -506.263768
where:
bonds (distance) C4'-P energy: -166.615
bonds (distance) P-C4' energy: -169.774
flat angles C4'-P-C4' energy: -128.504
flat angles P-C4'-P energy: -56.400
tors. eta vs tors. theta energy: 15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -664.295169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.295169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.295169 (E_RNA)
where:
Base-Base interactions energy: -238.156
where: short stacking energy: -159.446
Base-Backbone interact. energy: 2.085
local terms energy: -428.223526
where:
bonds (distance) C4'-P energy: -142.969
bonds (distance) P-C4' energy: -140.836
flat angles C4'-P-C4' energy: -121.265
flat angles P-C4'-P energy: -78.964
tors. eta vs tors. theta energy: 55.810
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: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2139.365560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.365560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.365560 (E_RNA)
where:
Base-Base interactions energy: -1249.186
where: short stacking energy: -734.066
Base-Backbone interact. energy: -0.703
local terms energy: -889.477391
where:
bonds (distance) C4'-P energy: -172.366
bonds (distance) P-C4' energy: -196.080
flat angles C4'-P-C4' energy: -194.109
flat angles P-C4'-P energy: -124.305
tors. eta vs tors. theta energy: -202.617
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: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1762.308701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.308701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.308701 (E_RNA)
where:
Base-Base interactions energy: -978.342
where: short stacking energy: -626.053
Base-Backbone interact. energy: 0.386
local terms energy: -784.353558
where:
bonds (distance) C4'-P energy: -180.507
bonds (distance) P-C4' energy: -175.700
flat angles C4'-P-C4' energy: -183.952
flat angles P-C4'-P energy: -102.294
tors. eta vs tors. theta energy: -141.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1753.467194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.467194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.467194 (E_RNA)
where:
Base-Base interactions energy: -981.438
where: short stacking energy: -552.035
Base-Backbone interact. energy: -3.400
local terms energy: -768.629041
where:
bonds (distance) C4'-P energy: -158.032
bonds (distance) P-C4' energy: -168.426
flat angles C4'-P-C4' energy: -185.024
flat angles P-C4'-P energy: -121.318
tors. eta vs tors. theta energy: -135.830
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: 18
Temperature: 1.050000
Total energy: -1749.140788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.140788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.140788 (E_RNA)
where:
Base-Base interactions energy: -1017.762
where: short stacking energy: -551.316
Base-Backbone interact. energy: -6.377
local terms energy: -725.002048
where:
bonds (distance) C4'-P energy: -166.542
bonds (distance) P-C4' energy: -175.578
flat angles C4'-P-C4' energy: -152.350
flat angles P-C4'-P energy: -109.956
tors. eta vs tors. theta energy: -120.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1517.497123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.497123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.497123 (E_RNA)
where:
Base-Base interactions energy: -881.359
where: short stacking energy: -450.423
Base-Backbone interact. energy: -3.981
local terms energy: -632.158082
where:
bonds (distance) C4'-P energy: -143.262
bonds (distance) P-C4' energy: -177.143
flat angles C4'-P-C4' energy: -153.572
flat angles P-C4'-P energy: -79.914
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: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1332.664059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.664059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.664059 (E_RNA)
where:
Base-Base interactions energy: -688.113
where: short stacking energy: -393.777
Base-Backbone interact. energy: -2.755
local terms energy: -641.795417
where:
bonds (distance) C4'-P energy: -167.090
bonds (distance) P-C4' energy: -169.859
flat angles C4'-P-C4' energy: -163.421
flat angles P-C4'-P energy: -85.686
tors. eta vs tors. theta energy: -55.740
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1193.765007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.765007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.765007 (E_RNA)
where:
Base-Base interactions energy: -618.584
where: short stacking energy: -363.472
Base-Backbone interact. energy: 7.701
local terms energy: -582.882390
where:
bonds (distance) C4'-P energy: -155.996
bonds (distance) P-C4' energy: -168.255
flat angles C4'-P-C4' energy: -135.384
flat angles P-C4'-P energy: -92.226
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -938.960338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.960338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.960338 (E_RNA)
where:
Base-Base interactions energy: -383.222
where: short stacking energy: -263.322
Base-Backbone interact. energy: 0.113
local terms energy: -555.850757
where:
bonds (distance) C4'-P energy: -158.994
bonds (distance) P-C4' energy: -157.716
flat angles C4'-P-C4' energy: -145.588
flat angles P-C4'-P energy: -92.600
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -778.389322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.389322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.389322 (E_RNA)
where:
Base-Base interactions energy: -300.202
where: short stacking energy: -211.066
Base-Backbone interact. energy: 5.558
local terms energy: -483.745653
where:
bonds (distance) C4'-P energy: -138.506
bonds (distance) P-C4' energy: -145.938
flat angles C4'-P-C4' energy: -142.699
flat angles P-C4'-P energy: -88.118
tors. eta vs tors. theta energy: 31.515
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: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -702.493683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.493683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.493683 (E_RNA)
where:
Base-Base interactions energy: -243.318
where: short stacking energy: -197.899
Base-Backbone interact. energy: -1.714
local terms energy: -457.461222
where:
bonds (distance) C4'-P energy: -125.323
bonds (distance) P-C4' energy: -170.172
flat angles C4'-P-C4' energy: -120.950
flat angles P-C4'-P energy: -75.951
tors. eta vs tors. theta energy: 34.934
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: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2134.684043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.684043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.684043 (E_RNA)
where:
Base-Base interactions energy: -1247.319
where: short stacking energy: -700.696
Base-Backbone interact. energy: 0.231
local terms energy: -887.596729
where:
bonds (distance) C4'-P energy: -187.669
bonds (distance) P-C4' energy: -187.636
flat angles C4'-P-C4' energy: -196.876
flat angles P-C4'-P energy: -127.135
tors. eta vs tors. theta energy: -188.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1754.009283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.009283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.009283 (E_RNA)
where:
Base-Base interactions energy: -944.513
where: short stacking energy: -597.548
Base-Backbone interact. energy: 2.027
local terms energy: -811.522961
where:
bonds (distance) C4'-P energy: -181.770
bonds (distance) P-C4' energy: -187.288
flat angles C4'-P-C4' energy: -186.562
flat angles P-C4'-P energy: -106.468
tors. eta vs tors. theta energy: -149.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1940.611872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.611872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.611872 (E_RNA)
where:
Base-Base interactions energy: -1151.622
where: short stacking energy: -609.745
Base-Backbone interact. energy: -3.653
local terms energy: -785.336352
where:
bonds (distance) C4'-P energy: -175.359
bonds (distance) P-C4' energy: -155.272
flat angles C4'-P-C4' energy: -193.668
flat angles P-C4'-P energy: -102.638
tors. eta vs tors. theta energy: -158.399
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: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1852.249520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.249520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.249520 (E_RNA)
where:
Base-Base interactions energy: -1112.607
where: short stacking energy: -566.362
Base-Backbone interact. energy: 0.340
local terms energy: -739.982243
where:
bonds (distance) C4'-P energy: -178.874
bonds (distance) P-C4' energy: -174.903
flat angles C4'-P-C4' energy: -172.514
flat angles P-C4'-P energy: -94.516
tors. eta vs tors. theta energy: -119.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1559.407405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.407405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.407405 (E_RNA)
where:
Base-Base interactions energy: -877.401
where: short stacking energy: -476.319
Base-Backbone interact. energy: -1.997
local terms energy: -680.010153
where:
bonds (distance) C4'-P energy: -156.230
bonds (distance) P-C4' energy: -164.694
flat angles C4'-P-C4' energy: -144.331
flat angles P-C4'-P energy: -102.708
tors. eta vs tors. theta energy: -112.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1361.058935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.058935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.058935 (E_RNA)
where:
Base-Base interactions energy: -750.819
where: short stacking energy: -394.804
Base-Backbone interact. energy: 1.275
local terms energy: -611.514850
where:
bonds (distance) C4'-P energy: -152.257
bonds (distance) P-C4' energy: -162.748
flat angles C4'-P-C4' energy: -146.169
flat angles P-C4'-P energy: -100.967
tors. eta vs tors. theta energy: -49.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1154.859011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.859011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.859011 (E_RNA)
where:
Base-Base interactions energy: -553.823
where: short stacking energy: -352.794
Base-Backbone interact. energy: -2.787
local terms energy: -598.248888
where:
bonds (distance) C4'-P energy: -152.065
bonds (distance) P-C4' energy: -160.805
flat angles C4'-P-C4' energy: -173.964
flat angles P-C4'-P energy: -77.781
tors. eta vs tors. theta energy: -33.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -908.542179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.542179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.542179 (E_RNA)
where:
Base-Base interactions energy: -408.029
where: short stacking energy: -262.643
Base-Backbone interact. energy: 3.201
local terms energy: -503.715062
where:
bonds (distance) C4'-P energy: -142.291
bonds (distance) P-C4' energy: -129.700
flat angles C4'-P-C4' energy: -138.526
flat angles P-C4'-P energy: -86.980
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -834.705286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.705286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.705286 (E_RNA)
where:
Base-Base interactions energy: -394.204
where: short stacking energy: -250.896
Base-Backbone interact. energy: 2.538
local terms energy: -443.039206
where:
bonds (distance) C4'-P energy: -142.107
bonds (distance) P-C4' energy: -153.319
flat angles C4'-P-C4' energy: -103.175
flat angles P-C4'-P energy: -60.587
tors. eta vs tors. theta energy: 16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -652.924977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.924977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.924977 (E_RNA)
where:
Base-Base interactions energy: -199.387
where: short stacking energy: -147.126
Base-Backbone interact. energy: -1.550
local terms energy: -451.988025
where:
bonds (distance) C4'-P energy: -170.675
bonds (distance) P-C4' energy: -125.331
flat angles C4'-P-C4' energy: -123.271
flat angles P-C4'-P energy: -86.939
tors. eta vs tors. theta energy: 54.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2114.992290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.992290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.992290 (E_RNA)
where:
Base-Base interactions energy: -1247.126
where: short stacking energy: -676.024
Base-Backbone interact. energy: -3.925
local terms energy: -863.941250
where:
bonds (distance) C4'-P energy: -192.738
bonds (distance) P-C4' energy: -186.214
flat angles C4'-P-C4' energy: -194.805
flat angles P-C4'-P energy: -116.083
tors. eta vs tors. theta energy: -174.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1718.828206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.828206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.828206 (E_RNA)
where:
Base-Base interactions energy: -925.465
where: short stacking energy: -582.986
Base-Backbone interact. energy: -1.535
local terms energy: -791.828205
where:
bonds (distance) C4'-P energy: -148.845
bonds (distance) P-C4' energy: -180.371
flat angles C4'-P-C4' energy: -195.764
flat angles P-C4'-P energy: -115.694
tors. eta vs tors. theta energy: -151.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2012.273483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.273483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.273483 (E_RNA)
where:
Base-Base interactions energy: -1221.655
where: short stacking energy: -613.476
Base-Backbone interact. energy: -1.792
local terms energy: -788.825826
where:
bonds (distance) C4'-P energy: -162.048
bonds (distance) P-C4' energy: -171.440
flat angles C4'-P-C4' energy: -186.395
flat angles P-C4'-P energy: -122.919
tors. eta vs tors. theta energy: -146.024
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: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1852.582535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.582535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.582535 (E_RNA)
where:
Base-Base interactions energy: -1098.892
where: short stacking energy: -593.519
Base-Backbone interact. energy: -0.048
local terms energy: -753.642544
where:
bonds (distance) C4'-P energy: -160.296
bonds (distance) P-C4' energy: -178.044
flat angles C4'-P-C4' energy: -166.293
flat angles P-C4'-P energy: -105.585
tors. eta vs tors. theta energy: -143.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1487.344149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.344149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.344149 (E_RNA)
where:
Base-Base interactions energy: -828.307
where: short stacking energy: -448.404
Base-Backbone interact. energy: -1.855
local terms energy: -657.182271
where:
bonds (distance) C4'-P energy: -145.768
bonds (distance) P-C4' energy: -160.489
flat angles C4'-P-C4' energy: -158.061
flat angles P-C4'-P energy: -118.393
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1434.660536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.660536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.660536 (E_RNA)
where:
Base-Base interactions energy: -789.446
where: short stacking energy: -413.618
Base-Backbone interact. energy: 3.755
local terms energy: -648.968736
where:
bonds (distance) C4'-P energy: -158.497
bonds (distance) P-C4' energy: -162.008
flat angles C4'-P-C4' energy: -171.050
flat angles P-C4'-P energy: -92.440
tors. eta vs tors. theta energy: -64.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1078.790963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.790963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.790963 (E_RNA)
where:
Base-Base interactions energy: -517.426
where: short stacking energy: -331.909
Base-Backbone interact. energy: -0.861
local terms energy: -560.504126
where:
bonds (distance) C4'-P energy: -156.569
bonds (distance) P-C4' energy: -156.622
flat angles C4'-P-C4' energy: -139.285
flat angles P-C4'-P energy: -75.695
tors. eta vs tors. theta energy: -32.333
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: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -945.621917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.621917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.621917 (E_RNA)
where:
Base-Base interactions energy: -442.361
where: short stacking energy: -261.510
Base-Backbone interact. energy: 4.585
local terms energy: -507.846171
where:
bonds (distance) C4'-P energy: -155.883
bonds (distance) P-C4' energy: -146.194
flat angles C4'-P-C4' energy: -139.135
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: 24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -865.030058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.030058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.030058 (E_RNA)
where:
Base-Base interactions energy: -375.583
where: short stacking energy: -271.577
Base-Backbone interact. energy: -1.534
local terms energy: -487.912396
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -168.554
flat angles C4'-P-C4' energy: -128.150
flat angles P-C4'-P energy: -62.681
tors. eta vs tors. theta energy: 3.465
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: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -659.647470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.647470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.647470 (E_RNA)
where:
Base-Base interactions energy: -201.023
where: short stacking energy: -169.296
Base-Backbone interact. energy: -0.390
local terms energy: -458.234760
where:
bonds (distance) C4'-P energy: -145.842
bonds (distance) P-C4' energy: -140.300
flat angles C4'-P-C4' energy: -146.581
flat angles P-C4'-P energy: -72.557
tors. eta vs tors. theta energy: 47.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2171.285396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.285396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.285396 (E_RNA)
where:
Base-Base interactions energy: -1305.369
where: short stacking energy: -680.197
Base-Backbone interact. energy: -2.194
local terms energy: -863.721597
where:
bonds (distance) C4'-P energy: -197.182
bonds (distance) P-C4' energy: -201.603
flat angles C4'-P-C4' energy: -182.351
flat angles P-C4'-P energy: -109.544
tors. eta vs tors. theta energy: -173.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2115.918887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.918887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.918887 (E_RNA)
where:
Base-Base interactions energy: -1290.587
where: short stacking energy: -653.346
Base-Backbone interact. energy: 1.511
local terms energy: -826.842540
where:
bonds (distance) C4'-P energy: -174.436
bonds (distance) P-C4' energy: -175.094
flat angles C4'-P-C4' energy: -182.118
flat angles P-C4'-P energy: -115.672
tors. eta vs tors. theta energy: -179.523
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: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1727.192437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.192437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.192437 (E_RNA)
where:
Base-Base interactions energy: -948.216
where: short stacking energy: -601.623
Base-Backbone interact. energy: -0.980
local terms energy: -777.996678
where:
bonds (distance) C4'-P energy: -171.940
bonds (distance) P-C4' energy: -174.856
flat angles C4'-P-C4' energy: -165.564
flat angles P-C4'-P energy: -125.521
tors. eta vs tors. theta energy: -140.116
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1837.040544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.040544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.040544 (E_RNA)
where:
Base-Base interactions energy: -1085.489
where: short stacking energy: -569.938
Base-Backbone interact. energy: 0.045
local terms energy: -751.596326
where:
bonds (distance) C4'-P energy: -148.472
bonds (distance) P-C4' energy: -167.902
flat angles C4'-P-C4' energy: -183.005
flat angles P-C4'-P energy: -102.283
tors. eta vs tors. theta energy: -149.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1534.620309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.620309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.620309 (E_RNA)
where:
Base-Base interactions energy: -861.355
where: short stacking energy: -482.378
Base-Backbone interact. energy: 0.630
local terms energy: -673.895276
where:
bonds (distance) C4'-P energy: -161.934
bonds (distance) P-C4' energy: -157.571
flat angles C4'-P-C4' energy: -155.510
flat angles P-C4'-P energy: -99.898
tors. eta vs tors. theta energy: -98.982
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: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1564.737629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.737629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.737629 (E_RNA)
where:
Base-Base interactions energy: -885.642
where: short stacking energy: -452.867
Base-Backbone interact. energy: -1.523
local terms energy: -677.572405
where:
bonds (distance) C4'-P energy: -156.512
bonds (distance) P-C4' energy: -171.794
flat angles C4'-P-C4' energy: -175.977
flat angles P-C4'-P energy: -89.393
tors. eta vs tors. theta energy: -83.895
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: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1074.021025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.021025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.021025 (E_RNA)
where:
Base-Base interactions energy: -503.730
where: short stacking energy: -338.236
Base-Backbone interact. energy: 9.483
local terms energy: -579.773508
where:
bonds (distance) C4'-P energy: -141.514
bonds (distance) P-C4' energy: -160.948
flat angles C4'-P-C4' energy: -143.810
flat angles P-C4'-P energy: -95.012
tors. eta vs tors. theta energy: -38.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1055.556875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.556875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.556875 (E_RNA)
where:
Base-Base interactions energy: -529.207
where: short stacking energy: -290.458
Base-Backbone interact. energy: -2.142
local terms energy: -524.207903
where:
bonds (distance) C4'-P energy: -124.751
bonds (distance) P-C4' energy: -166.847
flat angles C4'-P-C4' energy: -147.770
flat angles P-C4'-P energy: -75.321
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -854.077792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.077792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.077792 (E_RNA)
where:
Base-Base interactions energy: -355.622
where: short stacking energy: -208.453
Base-Backbone interact. energy: -1.429
local terms energy: -497.026958
where:
bonds (distance) C4'-P energy: -154.232
bonds (distance) P-C4' energy: -145.347
flat angles C4'-P-C4' energy: -139.614
flat angles P-C4'-P energy: -70.460
tors. eta vs tors. theta energy: 12.627
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: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -654.727523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.727523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.727523 (E_RNA)
where:
Base-Base interactions energy: -205.219
where: short stacking energy: -152.031
Base-Backbone interact. energy: -1.580
local terms energy: -447.928345
where:
bonds (distance) C4'-P energy: -121.390
bonds (distance) P-C4' energy: -138.060
flat angles C4'-P-C4' energy: -144.325
flat angles P-C4'-P energy: -83.491
tors. eta vs tors. theta energy: 39.338
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: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2274.194861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.194861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.194861 (E_RNA)
where:
Base-Base interactions energy: -1413.594
where: short stacking energy: -706.264
Base-Backbone interact. energy: -1.816
local terms energy: -858.784643
where:
bonds (distance) C4'-P energy: -180.120
bonds (distance) P-C4' energy: -189.536
flat angles C4'-P-C4' energy: -178.422
flat angles P-C4'-P energy: -127.127
tors. eta vs tors. theta energy: -183.580
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: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2070.368189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.368189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.368189 (E_RNA)
where:
Base-Base interactions energy: -1226.475
where: short stacking energy: -616.984
Base-Backbone interact. energy: -3.739
local terms energy: -840.153722
where:
bonds (distance) C4'-P energy: -182.226
bonds (distance) P-C4' energy: -183.307
flat angles C4'-P-C4' energy: -181.641
flat angles P-C4'-P energy: -120.724
tors. eta vs tors. theta energy: -172.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1895.727284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.727284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.727284 (E_RNA)
where:
Base-Base interactions energy: -1100.087
where: short stacking energy: -591.733
Base-Backbone interact. energy: -0.785
local terms energy: -794.855339
where:
bonds (distance) C4'-P energy: -190.473
bonds (distance) P-C4' energy: -164.762
flat angles C4'-P-C4' energy: -179.134
flat angles P-C4'-P energy: -124.456
tors. eta vs tors. theta energy: -136.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1578.445715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.445715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.445715 (E_RNA)
where:
Base-Base interactions energy: -806.867
where: short stacking energy: -462.942
Base-Backbone interact. energy: -3.409
local terms energy: -768.169278
where:
bonds (distance) C4'-P energy: -187.739
bonds (distance) P-C4' energy: -183.589
flat angles C4'-P-C4' energy: -173.250
flat angles P-C4'-P energy: -120.784
tors. eta vs tors. theta energy: -102.807
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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1688.872732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.872732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.872732 (E_RNA)
where:
Base-Base interactions energy: -1015.543
where: short stacking energy: -520.977
Base-Backbone interact. energy: -3.709
local terms energy: -669.620523
where:
bonds (distance) C4'-P energy: -150.377
bonds (distance) P-C4' energy: -186.998
flat angles C4'-P-C4' energy: -155.213
flat angles P-C4'-P energy: -91.099
tors. eta vs tors. theta energy: -85.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1432.528680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.528680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.528680 (E_RNA)
where:
Base-Base interactions energy: -781.264
where: short stacking energy: -408.653
Base-Backbone interact. energy: -0.351
local terms energy: -650.913774
where:
bonds (distance) C4'-P energy: -163.695
bonds (distance) P-C4' energy: -166.086
flat angles C4'-P-C4' energy: -146.141
flat angles P-C4'-P energy: -100.521
tors. eta vs tors. theta energy: -74.471
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: 22
Temperature: 1.200000
Total energy: -1218.393456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.393456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.393456 (E_RNA)
where:
Base-Base interactions energy: -654.953
where: short stacking energy: -320.983
Base-Backbone interact. energy: -1.848
local terms energy: -561.592854
where:
bonds (distance) C4'-P energy: -154.942
bonds (distance) P-C4' energy: -168.536
flat angles C4'-P-C4' energy: -140.268
flat angles P-C4'-P energy: -73.787
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1085.862187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.862187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.862187 (E_RNA)
where:
Base-Base interactions energy: -553.377
where: short stacking energy: -329.517
Base-Backbone interact. energy: -1.542
local terms energy: -530.943450
where:
bonds (distance) C4'-P energy: -137.753
bonds (distance) P-C4' energy: -143.969
flat angles C4'-P-C4' energy: -145.277
flat angles P-C4'-P energy: -72.089
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -886.961841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.961841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.961841 (E_RNA)
where:
Base-Base interactions energy: -395.234
where: short stacking energy: -274.700
Base-Backbone interact. energy: 4.821
local terms energy: -496.548789
where:
bonds (distance) C4'-P energy: -151.823
bonds (distance) P-C4' energy: -145.600
flat angles C4'-P-C4' energy: -140.866
flat angles P-C4'-P energy: -60.469
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -697.732715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.732715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.732715 (E_RNA)
where:
Base-Base interactions energy: -294.713
where: short stacking energy: -222.155
Base-Backbone interact. energy: 6.952
local terms energy: -409.971537
where:
bonds (distance) C4'-P energy: -121.670
bonds (distance) P-C4' energy: -156.580
flat angles C4'-P-C4' energy: -132.384
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: 54.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2299.880338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.880338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.880338 (E_RNA)
where:
Base-Base interactions energy: -1435.184
where: short stacking energy: -695.244
Base-Backbone interact. energy: -0.738
local terms energy: -863.957701
where:
bonds (distance) C4'-P energy: -184.147
bonds (distance) P-C4' energy: -192.659
flat angles C4'-P-C4' energy: -191.733
flat angles P-C4'-P energy: -127.585
tors. eta vs tors. theta energy: -167.834
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: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2021.080812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.080812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.080812 (E_RNA)
where:
Base-Base interactions energy: -1231.848
where: short stacking energy: -635.345
Base-Backbone interact. energy: -6.517
local terms energy: -782.715579
where:
bonds (distance) C4'-P energy: -165.265
bonds (distance) P-C4' energy: -167.146
flat angles C4'-P-C4' energy: -187.274
flat angles P-C4'-P energy: -105.780
tors. eta vs tors. theta energy: -157.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1884.882301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.882301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.882301 (E_RNA)
where:
Base-Base interactions energy: -1122.967
where: short stacking energy: -595.627
Base-Backbone interact. energy: 0.408
local terms energy: -762.322510
where:
bonds (distance) C4'-P energy: -165.095
bonds (distance) P-C4' energy: -179.153
flat angles C4'-P-C4' energy: -162.805
flat angles P-C4'-P energy: -111.781
tors. eta vs tors. theta energy: -143.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1780.373688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.373688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.373688 (E_RNA)
where:
Base-Base interactions energy: -1052.300
where: short stacking energy: -505.996
Base-Backbone interact. energy: 0.431
local terms energy: -728.504678
where:
bonds (distance) C4'-P energy: -169.181
bonds (distance) P-C4' energy: -170.608
flat angles C4'-P-C4' energy: -168.892
flat angles P-C4'-P energy: -107.638
tors. eta vs tors. theta energy: -112.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1424.285604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.285604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.285604 (E_RNA)
where:
Base-Base interactions energy: -734.362
where: short stacking energy: -433.237
Base-Backbone interact. energy: 0.698
local terms energy: -690.621252
where:
bonds (distance) C4'-P energy: -166.872
bonds (distance) P-C4' energy: -172.236
flat angles C4'-P-C4' energy: -161.093
flat angles P-C4'-P energy: -99.856
tors. eta vs tors. theta energy: -90.564
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1397.447288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.447288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.447288 (E_RNA)
where:
Base-Base interactions energy: -745.376
where: short stacking energy: -421.072
Base-Backbone interact. energy: 5.944
local terms energy: -658.015478
where:
bonds (distance) C4'-P energy: -161.258
bonds (distance) P-C4' energy: -165.315
flat angles C4'-P-C4' energy: -156.513
flat angles P-C4'-P energy: -91.393
tors. eta vs tors. theta energy: -83.536
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: 23
Temperature: 1.200000
Total energy: -1281.900587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.900587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.900587 (E_RNA)
where:
Base-Base interactions energy: -711.780
where: short stacking energy: -359.771
Base-Backbone interact. energy: 1.365
local terms energy: -571.485550
where:
bonds (distance) C4'-P energy: -159.290
bonds (distance) P-C4' energy: -167.299
flat angles C4'-P-C4' energy: -155.426
flat angles P-C4'-P energy: -81.882
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1078.020629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.020629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.020629 (E_RNA)
where:
Base-Base interactions energy: -545.307
where: short stacking energy: -320.069
Base-Backbone interact. energy: -0.536
local terms energy: -532.177382
where:
bonds (distance) C4'-P energy: -138.917
bonds (distance) P-C4' energy: -162.396
flat angles C4'-P-C4' energy: -130.265
flat angles P-C4'-P energy: -94.236
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -894.434510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.434510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.434510 (E_RNA)
where:
Base-Base interactions energy: -416.535
where: short stacking energy: -252.299
Base-Backbone interact. energy: 0.056
local terms energy: -477.956019
where:
bonds (distance) C4'-P energy: -156.586
bonds (distance) P-C4' energy: -146.267
flat angles C4'-P-C4' energy: -131.117
flat angles P-C4'-P energy: -70.845
tors. eta vs tors. theta energy: 26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -642.878983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.878983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.878983 (E_RNA)
where:
Base-Base interactions energy: -221.270
where: short stacking energy: -183.556
Base-Backbone interact. energy: 8.600
local terms energy: -430.208914
where:
bonds (distance) C4'-P energy: -138.275
bonds (distance) P-C4' energy: -150.268
flat angles C4'-P-C4' energy: -115.857
flat angles P-C4'-P energy: -70.957
tors. eta vs tors. theta energy: 45.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2300.546917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.546917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.546917 (E_RNA)
where:
Base-Base interactions energy: -1434.192
where: short stacking energy: -686.692
Base-Backbone interact. energy: -5.573
local terms energy: -860.782476
where:
bonds (distance) C4'-P energy: -178.794
bonds (distance) P-C4' energy: -192.195
flat angles C4'-P-C4' energy: -196.437
flat angles P-C4'-P energy: -108.197
tors. eta vs tors. theta energy: -185.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2088.450808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.450808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.450808 (E_RNA)
where:
Base-Base interactions energy: -1264.149
where: short stacking energy: -668.954
Base-Backbone interact. energy: -3.598
local terms energy: -820.704214
where:
bonds (distance) C4'-P energy: -166.421
bonds (distance) P-C4' energy: -187.330
flat angles C4'-P-C4' energy: -178.751
flat angles P-C4'-P energy: -115.165
tors. eta vs tors. theta energy: -173.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1963.209896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.209896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.209896 (E_RNA)
where:
Base-Base interactions energy: -1158.509
where: short stacking energy: -614.813
Base-Backbone interact. energy: 0.673
local terms energy: -805.374682
where:
bonds (distance) C4'-P energy: -183.682
bonds (distance) P-C4' energy: -179.864
flat angles C4'-P-C4' energy: -182.523
flat angles P-C4'-P energy: -104.418
tors. eta vs tors. theta energy: -154.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1875.796106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.796106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.796106 (E_RNA)
where:
Base-Base interactions energy: -1129.723
where: short stacking energy: -531.715
Base-Backbone interact. energy: -1.044
local terms energy: -745.028911
where:
bonds (distance) C4'-P energy: -181.457
bonds (distance) P-C4' energy: -174.499
flat angles C4'-P-C4' energy: -167.039
flat angles P-C4'-P energy: -91.747
tors. eta vs tors. theta energy: -130.287
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1428.144346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.144346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.144346 (E_RNA)
where:
Base-Base interactions energy: -724.626
where: short stacking energy: -472.895
Base-Backbone interact. energy: 1.284
local terms energy: -704.803078
where:
bonds (distance) C4'-P energy: -147.339
bonds (distance) P-C4' energy: -170.821
flat angles C4'-P-C4' energy: -172.612
flat angles P-C4'-P energy: -104.868
tors. eta vs tors. theta energy: -109.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1527.258103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.258103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.258103 (E_RNA)
where:
Base-Base interactions energy: -845.414
where: short stacking energy: -458.390
Base-Backbone interact. energy: -3.300
local terms energy: -678.543901
where:
bonds (distance) C4'-P energy: -142.876
bonds (distance) P-C4' energy: -156.761
flat angles C4'-P-C4' energy: -175.007
flat angles P-C4'-P energy: -101.731
tors. eta vs tors. theta energy: -102.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1386.153590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.153590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.153590 (E_RNA)
where:
Base-Base interactions energy: -773.968
where: short stacking energy: -421.556
Base-Backbone interact. energy: 1.577
local terms energy: -613.762265
where:
bonds (distance) C4'-P energy: -153.920
bonds (distance) P-C4' energy: -155.803
flat angles C4'-P-C4' energy: -142.471
flat angles P-C4'-P energy: -97.546
tors. eta vs tors. theta energy: -64.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -941.407353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.407353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.407353 (E_RNA)
where:
Base-Base interactions energy: -434.715
where: short stacking energy: -258.724
Base-Backbone interact. energy: -1.125
local terms energy: -505.567158
where:
bonds (distance) C4'-P energy: -150.886
bonds (distance) P-C4' energy: -137.062
flat angles C4'-P-C4' energy: -135.876
flat angles P-C4'-P energy: -89.799
tors. eta vs tors. theta energy: 8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -942.018601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.018601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.018601 (E_RNA)
where:
Base-Base interactions energy: -432.645
where: short stacking energy: -242.477
Base-Backbone interact. energy: -2.372
local terms energy: -507.001639
where:
bonds (distance) C4'-P energy: -148.126
bonds (distance) P-C4' energy: -169.305
flat angles C4'-P-C4' energy: -131.706
flat angles P-C4'-P energy: -73.821
tors. eta vs tors. theta energy: 15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -665.122568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.122568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.122568 (E_RNA)
where:
Base-Base interactions energy: -268.154
where: short stacking energy: -175.567
Base-Backbone interact. energy: -5.816
local terms energy: -391.152828
where:
bonds (distance) C4'-P energy: -107.144
bonds (distance) P-C4' energy: -148.033
flat angles C4'-P-C4' energy: -95.086
flat angles P-C4'-P energy: -81.602
tors. eta vs tors. theta energy: 40.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2364.793411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.793411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.793411 (E_RNA)
where:
Base-Base interactions energy: -1506.904
where: short stacking energy: -733.293
Base-Backbone interact. energy: -4.612
local terms energy: -853.277825
where:
bonds (distance) C4'-P energy: -169.651
bonds (distance) P-C4' energy: -182.891
flat angles C4'-P-C4' energy: -181.350
flat angles P-C4'-P energy: -134.607
tors. eta vs tors. theta energy: -184.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2158.316294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.316294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.316294 (E_RNA)
where:
Base-Base interactions energy: -1331.908
where: short stacking energy: -686.637
Base-Backbone interact. energy: 5.812
local terms energy: -832.220044
where:
bonds (distance) C4'-P energy: -187.347
bonds (distance) P-C4' energy: -175.435
flat angles C4'-P-C4' energy: -184.534
flat angles P-C4'-P energy: -118.653
tors. eta vs tors. theta energy: -166.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1936.500113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.500113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.500113 (E_RNA)
where:
Base-Base interactions energy: -1165.809
where: short stacking energy: -580.332
Base-Backbone interact. energy: -3.495
local terms energy: -767.196194
where:
bonds (distance) C4'-P energy: -162.101
bonds (distance) P-C4' energy: -177.967
flat angles C4'-P-C4' energy: -180.012
flat angles P-C4'-P energy: -110.715
tors. eta vs tors. theta energy: -136.401
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: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2001.139890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.139890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.139890 (E_RNA)
where:
Base-Base interactions energy: -1248.961
where: short stacking energy: -562.104
Base-Backbone interact. energy: -2.174
local terms energy: -750.005595
where:
bonds (distance) C4'-P energy: -170.155
bonds (distance) P-C4' energy: -157.812
flat angles C4'-P-C4' energy: -180.313
flat angles P-C4'-P energy: -117.215
tors. eta vs tors. theta energy: -124.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1446.812919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.812919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.812919 (E_RNA)
where:
Base-Base interactions energy: -780.039
where: short stacking energy: -438.655
Base-Backbone interact. energy: -0.438
local terms energy: -666.336350
where:
bonds (distance) C4'-P energy: -158.077
bonds (distance) P-C4' energy: -166.698
flat angles C4'-P-C4' energy: -168.392
flat angles P-C4'-P energy: -94.990
tors. eta vs tors. theta energy: -78.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1581.245487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.245487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.245487 (E_RNA)
where:
Base-Base interactions energy: -893.623
where: short stacking energy: -452.208
Base-Backbone interact. energy: 1.761
local terms energy: -689.382879
where:
bonds (distance) C4'-P energy: -164.683
bonds (distance) P-C4' energy: -164.376
flat angles C4'-P-C4' energy: -168.620
flat angles P-C4'-P energy: -112.315
tors. eta vs tors. theta energy: -79.389
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: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1491.938156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.938156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.938156 (E_RNA)
where:
Base-Base interactions energy: -852.213
where: short stacking energy: -441.861
Base-Backbone interact. energy: -0.717
local terms energy: -639.008365
where:
bonds (distance) C4'-P energy: -165.098
bonds (distance) P-C4' energy: -168.066
flat angles C4'-P-C4' energy: -142.212
flat angles P-C4'-P energy: -103.509
tors. eta vs tors. theta energy: -60.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -995.314781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.314781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.314781 (E_RNA)
where:
Base-Base interactions energy: -477.782
where: short stacking energy: -265.551
Base-Backbone interact. energy: 4.948
local terms energy: -522.480996
where:
bonds (distance) C4'-P energy: -176.184
bonds (distance) P-C4' energy: -159.931
flat angles C4'-P-C4' energy: -126.819
flat angles P-C4'-P energy: -61.056
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -898.352553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.352553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.352553 (E_RNA)
where:
Base-Base interactions energy: -439.752
where: short stacking energy: -235.627
Base-Backbone interact. energy: -1.268
local terms energy: -457.332131
where:
bonds (distance) C4'-P energy: -140.687
bonds (distance) P-C4' energy: -162.431
flat angles C4'-P-C4' energy: -114.458
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: 21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -681.083710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.083710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.083710 (E_RNA)
where:
Base-Base interactions energy: -232.421
where: short stacking energy: -198.517
Base-Backbone interact. energy: 0.224
local terms energy: -448.886277
where:
bonds (distance) C4'-P energy: -138.723
bonds (distance) P-C4' energy: -151.929
flat angles C4'-P-C4' energy: -107.992
flat angles P-C4'-P energy: -79.678
tors. eta vs tors. theta energy: 29.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2395.930665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.930665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.930665 (E_RNA)
where:
Base-Base interactions energy: -1533.630
where: short stacking energy: -770.866
Base-Backbone interact. energy: 0.355
local terms energy: -862.656201
where:
bonds (distance) C4'-P energy: -175.936
bonds (distance) P-C4' energy: -169.880
flat angles C4'-P-C4' energy: -188.632
flat angles P-C4'-P energy: -134.193
tors. eta vs tors. theta energy: -194.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2138.163038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.163038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.163038 (E_RNA)
where:
Base-Base interactions energy: -1303.952
where: short stacking energy: -647.188
Base-Backbone interact. energy: 0.163
local terms energy: -834.374327
where:
bonds (distance) C4'-P energy: -182.822
bonds (distance) P-C4' energy: -185.720
flat angles C4'-P-C4' energy: -192.928
flat angles P-C4'-P energy: -111.689
tors. eta vs tors. theta energy: -161.216
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: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2099.476479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.476479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.476479 (E_RNA)
where:
Base-Base interactions energy: -1310.950
where: short stacking energy: -621.801
Base-Backbone interact. energy: 6.637
local terms energy: -795.162906
where:
bonds (distance) C4'-P energy: -164.289
bonds (distance) P-C4' energy: -171.938
flat angles C4'-P-C4' energy: -189.212
flat angles P-C4'-P energy: -117.825
tors. eta vs tors. theta energy: -151.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1971.318189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.318189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.318189 (E_RNA)
where:
Base-Base interactions energy: -1205.506
where: short stacking energy: -586.533
Base-Backbone interact. energy: -4.605
local terms energy: -761.207862
where:
bonds (distance) C4'-P energy: -163.661
bonds (distance) P-C4' energy: -167.665
flat angles C4'-P-C4' energy: -178.839
flat angles P-C4'-P energy: -105.650
tors. eta vs tors. theta energy: -145.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1667.611648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.611648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.611648 (E_RNA)
where:
Base-Base interactions energy: -997.777
where: short stacking energy: -515.895
Base-Backbone interact. energy: -3.211
local terms energy: -666.623671
where:
bonds (distance) C4'-P energy: -143.111
bonds (distance) P-C4' energy: -156.735
flat angles C4'-P-C4' energy: -160.435
flat angles P-C4'-P energy: -102.191
tors. eta vs tors. theta energy: -104.151
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1322.464525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.464525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.464525 (E_RNA)
where:
Base-Base interactions energy: -690.879
where: short stacking energy: -436.113
Base-Backbone interact. energy: -0.725
local terms energy: -630.860416
where:
bonds (distance) C4'-P energy: -164.593
bonds (distance) P-C4' energy: -169.951
flat angles C4'-P-C4' energy: -145.321
flat angles P-C4'-P energy: -81.532
tors. eta vs tors. theta energy: -69.464
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: 26
Temperature: 1.200000
Total energy: -1487.816587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.816587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.816587 (E_RNA)
where:
Base-Base interactions energy: -892.684
where: short stacking energy: -433.582
Base-Backbone interact. energy: 0.579
local terms energy: -595.711063
where:
bonds (distance) C4'-P energy: -137.952
bonds (distance) P-C4' energy: -152.004
flat angles C4'-P-C4' energy: -153.826
flat angles P-C4'-P energy: -84.125
tors. eta vs tors. theta energy: -67.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1012.270954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.270954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.270954 (E_RNA)
where:
Base-Base interactions energy: -458.625
where: short stacking energy: -284.265
Base-Backbone interact. energy: 4.077
local terms energy: -557.722980
where:
bonds (distance) C4'-P energy: -121.847
bonds (distance) P-C4' energy: -178.608
flat angles C4'-P-C4' energy: -153.185
flat angles P-C4'-P energy: -81.833
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -822.836392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.836392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.836392 (E_RNA)
where:
Base-Base interactions energy: -330.910
where: short stacking energy: -213.536
Base-Backbone interact. energy: 12.931
local terms energy: -504.857191
where:
bonds (distance) C4'-P energy: -163.088
bonds (distance) P-C4' energy: -133.917
flat angles C4'-P-C4' energy: -151.293
flat angles P-C4'-P energy: -86.235
tors. eta vs tors. theta energy: 29.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -681.198504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.198504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.198504 (E_RNA)
where:
Base-Base interactions energy: -268.313
where: short stacking energy: -174.621
Base-Backbone interact. energy: 8.430
local terms energy: -421.314965
where:
bonds (distance) C4'-P energy: -146.480
bonds (distance) P-C4' energy: -152.595
flat angles C4'-P-C4' energy: -101.389
flat angles P-C4'-P energy: -67.319
tors. eta vs tors. theta energy: 46.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2418.167734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.167734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.167734 (E_RNA)
where:
Base-Base interactions energy: -1496.503
where: short stacking energy: -747.053
Base-Backbone interact. energy: -3.837
local terms energy: -917.827667
where:
bonds (distance) C4'-P energy: -182.961
bonds (distance) P-C4' energy: -197.707
flat angles C4'-P-C4' energy: -189.332
flat angles P-C4'-P energy: -130.502
tors. eta vs tors. theta energy: -217.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2191.898841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.898841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.898841 (E_RNA)
where:
Base-Base interactions energy: -1355.231
where: short stacking energy: -697.767
Base-Backbone interact. energy: 4.004
local terms energy: -840.671777
where:
bonds (distance) C4'-P energy: -170.002
bonds (distance) P-C4' energy: -184.893
flat angles C4'-P-C4' energy: -182.819
flat angles P-C4'-P energy: -114.772
tors. eta vs tors. theta energy: -188.186
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: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2128.158942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.158942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.158942 (E_RNA)
where:
Base-Base interactions energy: -1335.365
where: short stacking energy: -660.924
Base-Backbone interact. energy: -2.085
local terms energy: -790.709056
where:
bonds (distance) C4'-P energy: -157.316
bonds (distance) P-C4' energy: -162.496
flat angles C4'-P-C4' energy: -197.136
flat angles P-C4'-P energy: -103.271
tors. eta vs tors. theta energy: -170.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1960.257463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.257463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.257463 (E_RNA)
where:
Base-Base interactions energy: -1198.687
where: short stacking energy: -614.910
Base-Backbone interact. energy: 1.779
local terms energy: -763.349300
where:
bonds (distance) C4'-P energy: -158.493
bonds (distance) P-C4' energy: -176.324
flat angles C4'-P-C4' energy: -174.617
flat angles P-C4'-P energy: -107.895
tors. eta vs tors. theta energy: -146.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1713.174829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.174829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.174829 (E_RNA)
where:
Base-Base interactions energy: -1001.698
where: short stacking energy: -509.881
Base-Backbone interact. energy: 4.226
local terms energy: -715.702723
where:
bonds (distance) C4'-P energy: -161.463
bonds (distance) P-C4' energy: -169.152
flat angles C4'-P-C4' energy: -169.871
flat angles P-C4'-P energy: -107.353
tors. eta vs tors. theta energy: -107.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1544.038665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.038665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.038665 (E_RNA)
where:
Base-Base interactions energy: -924.412
where: short stacking energy: -460.039
Base-Backbone interact. energy: -5.532
local terms energy: -614.094192
where:
bonds (distance) C4'-P energy: -162.738
bonds (distance) P-C4' energy: -154.394
flat angles C4'-P-C4' energy: -133.291
flat angles P-C4'-P energy: -94.965
tors. eta vs tors. theta energy: -68.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1161.110130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.110130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.110130 (E_RNA)
where:
Base-Base interactions energy: -580.801
where: short stacking energy: -372.594
Base-Backbone interact. energy: 2.609
local terms energy: -582.918149
where:
bonds (distance) C4'-P energy: -155.023
bonds (distance) P-C4' energy: -150.362
flat angles C4'-P-C4' energy: -143.721
flat angles P-C4'-P energy: -90.514
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1007.337935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.337935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.337935 (E_RNA)
where:
Base-Base interactions energy: -472.232
where: short stacking energy: -269.604
Base-Backbone interact. energy: 4.577
local terms energy: -539.682904
where:
bonds (distance) C4'-P energy: -153.939
bonds (distance) P-C4' energy: -156.078
flat angles C4'-P-C4' energy: -147.410
flat angles P-C4'-P energy: -82.849
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -838.691148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.691148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.691148 (E_RNA)
where:
Base-Base interactions energy: -368.855
where: short stacking energy: -237.660
Base-Backbone interact. energy: 12.267
local terms energy: -482.102576
where:
bonds (distance) C4'-P energy: -137.529
bonds (distance) P-C4' energy: -156.925
flat angles C4'-P-C4' energy: -128.999
flat angles P-C4'-P energy: -72.168
tors. eta vs tors. theta energy: 13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -651.871415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.871415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.871415 (E_RNA)
where:
Base-Base interactions energy: -211.137
where: short stacking energy: -169.493
Base-Backbone interact. energy: 6.880
local terms energy: -447.615005
where:
bonds (distance) C4'-P energy: -146.208
bonds (distance) P-C4' energy: -156.355
flat angles C4'-P-C4' energy: -133.049
flat angles P-C4'-P energy: -64.446
tors. eta vs tors. theta energy: 52.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2433.128856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.128856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.128856 (E_RNA)
where:
Base-Base interactions energy: -1540.565
where: short stacking energy: -740.461
Base-Backbone interact. energy: -3.340
local terms energy: -889.223420
where:
bonds (distance) C4'-P energy: -178.169
bonds (distance) P-C4' energy: -197.084
flat angles C4'-P-C4' energy: -198.423
flat angles P-C4'-P energy: -115.163
tors. eta vs tors. theta energy: -200.384
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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2220.287601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.287601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.287601 (E_RNA)
where:
Base-Base interactions energy: -1358.790
where: short stacking energy: -664.700
Base-Backbone interact. energy: -2.243
local terms energy: -859.254723
where:
bonds (distance) C4'-P energy: -161.793
bonds (distance) P-C4' energy: -189.720
flat angles C4'-P-C4' energy: -185.564
flat angles P-C4'-P energy: -131.731
tors. eta vs tors. theta energy: -190.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2176.710249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.710249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.710249 (E_RNA)
where:
Base-Base interactions energy: -1326.539
where: short stacking energy: -626.957
Base-Backbone interact. energy: 0.616
local terms energy: -850.787748
where:
bonds (distance) C4'-P energy: -164.206
bonds (distance) P-C4' energy: -186.212
flat angles C4'-P-C4' energy: -190.095
flat angles P-C4'-P energy: -132.438
tors. eta vs tors. theta energy: -177.837
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2025.000214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.000214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.000214 (E_RNA)
where:
Base-Base interactions energy: -1247.403
where: short stacking energy: -640.936
Base-Backbone interact. energy: -1.381
local terms energy: -776.215928
where:
bonds (distance) C4'-P energy: -161.158
bonds (distance) P-C4' energy: -150.400
flat angles C4'-P-C4' energy: -183.701
flat angles P-C4'-P energy: -102.196
tors. eta vs tors. theta energy: -178.761
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: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1774.918750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.918750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.918750 (E_RNA)
where:
Base-Base interactions energy: -1049.837
where: short stacking energy: -495.873
Base-Backbone interact. energy: -2.444
local terms energy: -722.637564
where:
bonds (distance) C4'-P energy: -162.526
bonds (distance) P-C4' energy: -166.270
flat angles C4'-P-C4' energy: -176.011
flat angles P-C4'-P energy: -103.926
tors. eta vs tors. theta energy: -113.905
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: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1612.464953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.464953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.464953 (E_RNA)
where:
Base-Base interactions energy: -944.730
where: short stacking energy: -474.386
Base-Backbone interact. energy: -1.333
local terms energy: -666.401887
where:
bonds (distance) C4'-P energy: -155.080
bonds (distance) P-C4' energy: -168.551
flat angles C4'-P-C4' energy: -158.058
flat angles P-C4'-P energy: -113.068
tors. eta vs tors. theta energy: -71.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1175.165764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.165764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.165764 (E_RNA)
where:
Base-Base interactions energy: -576.728
where: short stacking energy: -374.113
Base-Backbone interact. energy: 0.728
local terms energy: -599.165982
where:
bonds (distance) C4'-P energy: -150.608
bonds (distance) P-C4' energy: -168.773
flat angles C4'-P-C4' energy: -137.887
flat angles P-C4'-P energy: -88.013
tors. eta vs tors. theta energy: -53.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -923.294881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.294881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.294881 (E_RNA)
where:
Base-Base interactions energy: -426.983
where: short stacking energy: -277.047
Base-Backbone interact. energy: -1.900
local terms energy: -494.412522
where:
bonds (distance) C4'-P energy: -139.393
bonds (distance) P-C4' energy: -132.182
flat angles C4'-P-C4' energy: -126.762
flat angles P-C4'-P energy: -85.074
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -872.827658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.827658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.827658 (E_RNA)
where:
Base-Base interactions energy: -366.457
where: short stacking energy: -262.778
Base-Backbone interact. energy: 4.297
local terms energy: -510.667727
where:
bonds (distance) C4'-P energy: -155.539
bonds (distance) P-C4' energy: -159.537
flat angles C4'-P-C4' energy: -119.000
flat angles P-C4'-P energy: -88.185
tors. eta vs tors. theta energy: 11.593
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -690.460175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.460175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.460175 (E_RNA)
where:
Base-Base interactions energy: -217.552
where: short stacking energy: -161.241
Base-Backbone interact. energy: 3.747
local terms energy: -476.654452
where:
bonds (distance) C4'-P energy: -140.787
bonds (distance) P-C4' energy: -175.895
flat angles C4'-P-C4' energy: -106.329
flat angles P-C4'-P energy: -78.452
tors. eta vs tors. theta energy: 24.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2507.443750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.443750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.443750 (E_RNA)
where:
Base-Base interactions energy: -1624.286
where: short stacking energy: -755.865
Base-Backbone interact. energy: -3.358
local terms energy: -879.800065
where:
bonds (distance) C4'-P energy: -164.977
bonds (distance) P-C4' energy: -182.999
flat angles C4'-P-C4' energy: -206.224
flat angles P-C4'-P energy: -129.867
tors. eta vs tors. theta energy: -195.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2217.312815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.312815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.312815 (E_RNA)
where:
Base-Base interactions energy: -1375.457
where: short stacking energy: -666.738
Base-Backbone interact. energy: -3.485
local terms energy: -838.371520
where:
bonds (distance) C4'-P energy: -179.526
bonds (distance) P-C4' energy: -184.028
flat angles C4'-P-C4' energy: -185.352
flat angles P-C4'-P energy: -104.966
tors. eta vs tors. theta energy: -184.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2216.724680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.724680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.724680 (E_RNA)
where:
Base-Base interactions energy: -1418.273
where: short stacking energy: -681.246
Base-Backbone interact. energy: -1.786
local terms energy: -796.665412
where:
bonds (distance) C4'-P energy: -164.398
bonds (distance) P-C4' energy: -167.163
flat angles C4'-P-C4' energy: -187.541
flat angles P-C4'-P energy: -118.209
tors. eta vs tors. theta energy: -159.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1956.293214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.293214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.293214 (E_RNA)
where:
Base-Base interactions energy: -1230.247
where: short stacking energy: -598.837
Base-Backbone interact. energy: -1.449
local terms energy: -724.596618
where:
bonds (distance) C4'-P energy: -156.927
bonds (distance) P-C4' energy: -148.133
flat angles C4'-P-C4' energy: -169.286
flat angles P-C4'-P energy: -118.690
tors. eta vs tors. theta energy: -131.560
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: 29
Temperature: 1.100000
Total energy: -1832.810798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.810798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.810798 (E_RNA)
where:
Base-Base interactions energy: -1129.424
where: short stacking energy: -558.130
Base-Backbone interact. energy: -1.711
local terms energy: -701.676183
where:
bonds (distance) C4'-P energy: -173.205
bonds (distance) P-C4' energy: -159.171
flat angles C4'-P-C4' energy: -164.633
flat angles P-C4'-P energy: -81.509
tors. eta vs tors. theta energy: -123.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1667.930810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.930810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.930810 (E_RNA)
where:
Base-Base interactions energy: -993.101
where: short stacking energy: -476.136
Base-Backbone interact. energy: -0.698
local terms energy: -674.131864
where:
bonds (distance) C4'-P energy: -154.628
bonds (distance) P-C4' energy: -150.697
flat angles C4'-P-C4' energy: -177.184
flat angles P-C4'-P energy: -103.188
tors. eta vs tors. theta energy: -88.434
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: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1145.394410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.394410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.394410 (E_RNA)
where:
Base-Base interactions energy: -563.919
where: short stacking energy: -348.675
Base-Backbone interact. energy: -2.945
local terms energy: -578.530364
where:
bonds (distance) C4'-P energy: -153.299
bonds (distance) P-C4' energy: -161.695
flat angles C4'-P-C4' energy: -131.268
flat angles P-C4'-P energy: -96.857
tors. eta vs tors. theta energy: -35.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -912.303958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.303958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.303958 (E_RNA)
where:
Base-Base interactions energy: -405.982
where: short stacking energy: -263.504
Base-Backbone interact. energy: -2.020
local terms energy: -504.302295
where:
bonds (distance) C4'-P energy: -146.217
bonds (distance) P-C4' energy: -168.277
flat angles C4'-P-C4' energy: -131.292
flat angles P-C4'-P energy: -69.399
tors. eta vs tors. theta energy: 10.882
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: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -981.953493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.953493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.953493 (E_RNA)
where:
Base-Base interactions energy: -482.392
where: short stacking energy: -266.060
Base-Backbone interact. energy: 1.834
local terms energy: -501.396022
where:
bonds (distance) C4'-P energy: -140.741
bonds (distance) P-C4' energy: -145.236
flat angles C4'-P-C4' energy: -135.302
flat angles P-C4'-P energy: -68.602
tors. eta vs tors. theta energy: -11.515
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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -691.598449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.598449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.598449 (E_RNA)
where:
Base-Base interactions energy: -258.632
where: short stacking energy: -187.097
Base-Backbone interact. energy: 0.831
local terms energy: -433.797154
where:
bonds (distance) C4'-P energy: -137.770
bonds (distance) P-C4' energy: -154.971
flat angles C4'-P-C4' energy: -101.343
flat angles P-C4'-P energy: -70.033
tors. eta vs tors. theta energy: 30.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2489.913497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.913497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.913497 (E_RNA)
where:
Base-Base interactions energy: -1600.142
where: short stacking energy: -724.308
Base-Backbone interact. energy: -4.618
local terms energy: -885.153148
where:
bonds (distance) C4'-P energy: -184.174
bonds (distance) P-C4' energy: -181.900
flat angles C4'-P-C4' energy: -205.080
flat angles P-C4'-P energy: -121.636
tors. eta vs tors. theta energy: -192.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2174.297531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.297531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.297531 (E_RNA)
where:
Base-Base interactions energy: -1326.620
where: short stacking energy: -688.979
Base-Backbone interact. energy: -6.823
local terms energy: -840.854595
where:
bonds (distance) C4'-P energy: -188.420
bonds (distance) P-C4' energy: -170.109
flat angles C4'-P-C4' energy: -193.757
flat angles P-C4'-P energy: -112.693
tors. eta vs tors. theta energy: -175.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2205.477224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.477224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.477224 (E_RNA)
where:
Base-Base interactions energy: -1385.699
where: short stacking energy: -629.529
Base-Backbone interact. energy: -3.131
local terms energy: -816.647066
where:
bonds (distance) C4'-P energy: -156.351
bonds (distance) P-C4' energy: -175.829
flat angles C4'-P-C4' energy: -197.065
flat angles P-C4'-P energy: -126.946
tors. eta vs tors. theta energy: -160.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2015.140435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.140435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.140435 (E_RNA)
where:
Base-Base interactions energy: -1235.332
where: short stacking energy: -627.245
Base-Backbone interact. energy: -3.356
local terms energy: -776.451700
where:
bonds (distance) C4'-P energy: -171.971
bonds (distance) P-C4' energy: -160.593
flat angles C4'-P-C4' energy: -192.006
flat angles P-C4'-P energy: -110.253
tors. eta vs tors. theta energy: -141.629
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: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1860.617728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.617728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.617728 (E_RNA)
where:
Base-Base interactions energy: -1106.196
where: short stacking energy: -546.484
Base-Backbone interact. energy: -5.008
local terms energy: -749.413434
where:
bonds (distance) C4'-P energy: -168.374
bonds (distance) P-C4' energy: -187.491
flat angles C4'-P-C4' energy: -158.341
flat angles P-C4'-P energy: -110.085
tors. eta vs tors. theta energy: -125.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1682.130563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.130563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.130563 (E_RNA)
where:
Base-Base interactions energy: -1015.237
where: short stacking energy: -483.315
Base-Backbone interact. energy: 0.691
local terms energy: -667.584415
where:
bonds (distance) C4'-P energy: -162.736
bonds (distance) P-C4' energy: -150.629
flat angles C4'-P-C4' energy: -160.515
flat angles P-C4'-P energy: -97.576
tors. eta vs tors. theta energy: -96.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1154.553272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.553272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.553272 (E_RNA)
where:
Base-Base interactions energy: -556.284
where: short stacking energy: -362.656
Base-Backbone interact. energy: 0.626
local terms energy: -598.894398
where:
bonds (distance) C4'-P energy: -163.686
bonds (distance) P-C4' energy: -174.270
flat angles C4'-P-C4' energy: -133.344
flat angles P-C4'-P energy: -85.583
tors. eta vs tors. theta energy: -42.012
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: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -946.358815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.358815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.358815 (E_RNA)
where:
Base-Base interactions energy: -447.774
where: short stacking energy: -281.417
Base-Backbone interact. energy: 2.396
local terms energy: -500.981275
where:
bonds (distance) C4'-P energy: -125.231
bonds (distance) P-C4' energy: -169.580
flat angles C4'-P-C4' energy: -131.957
flat angles P-C4'-P energy: -57.314
tors. eta vs tors. theta energy: -16.898
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: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -951.358088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.358088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.358088 (E_RNA)
where:
Base-Base interactions energy: -456.435
where: short stacking energy: -294.346
Base-Backbone interact. energy: 5.401
local terms energy: -500.324137
where:
bonds (distance) C4'-P energy: -123.804
bonds (distance) P-C4' energy: -170.990
flat angles C4'-P-C4' energy: -151.022
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: 7.493
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: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -671.768693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.768693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.768693 (E_RNA)
where:
Base-Base interactions energy: -259.263
where: short stacking energy: -189.271
Base-Backbone interact. energy: 7.715
local terms energy: -420.221658
where:
bonds (distance) C4'-P energy: -137.096
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -118.579
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: 38.710
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: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2504.765264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.765264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.765264 (E_RNA)
where:
Base-Base interactions energy: -1619.076
where: short stacking energy: -747.774
Base-Backbone interact. energy: -2.399
local terms energy: -883.290147
where:
bonds (distance) C4'-P energy: -187.617
bonds (distance) P-C4' energy: -176.219
flat angles C4'-P-C4' energy: -195.083
flat angles P-C4'-P energy: -125.235
tors. eta vs tors. theta energy: -199.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2237.192408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.192408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.192408 (E_RNA)
where:
Base-Base interactions energy: -1377.596
where: short stacking energy: -695.816
Base-Backbone interact. energy: 1.749
local terms energy: -861.344718
where:
bonds (distance) C4'-P energy: -185.026
bonds (distance) P-C4' energy: -175.974
flat angles C4'-P-C4' energy: -204.247
flat angles P-C4'-P energy: -112.979
tors. eta vs tors. theta energy: -183.119
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: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2223.665999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.665999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.665999 (E_RNA)
where:
Base-Base interactions energy: -1435.842
where: short stacking energy: -674.992
Base-Backbone interact. energy: -4.745
local terms energy: -783.078966
where:
bonds (distance) C4'-P energy: -174.644
bonds (distance) P-C4' energy: -188.556
flat angles C4'-P-C4' energy: -171.608
flat angles P-C4'-P energy: -95.768
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: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2000.361656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.361656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.361656 (E_RNA)
where:
Base-Base interactions energy: -1251.689
where: short stacking energy: -563.854
Base-Backbone interact. energy: -2.097
local terms energy: -746.576131
where:
bonds (distance) C4'-P energy: -155.132
bonds (distance) P-C4' energy: -166.805
flat angles C4'-P-C4' energy: -164.611
flat angles P-C4'-P energy: -119.442
tors. eta vs tors. theta energy: -140.587
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: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1861.713899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.713899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.713899 (E_RNA)
where:
Base-Base interactions energy: -1121.848
where: short stacking energy: -527.892
Base-Backbone interact. energy: -3.764
local terms energy: -736.102719
where:
bonds (distance) C4'-P energy: -157.726
bonds (distance) P-C4' energy: -177.640
flat angles C4'-P-C4' energy: -169.779
flat angles P-C4'-P energy: -110.057
tors. eta vs tors. theta energy: -120.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1732.627007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.627007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.627007 (E_RNA)
where:
Base-Base interactions energy: -1041.138
where: short stacking energy: -495.769
Base-Backbone interact. energy: 1.392
local terms energy: -692.880273
where:
bonds (distance) C4'-P energy: -174.101
bonds (distance) P-C4' energy: -155.005
flat angles C4'-P-C4' energy: -152.759
flat angles P-C4'-P energy: -111.620
tors. eta vs tors. theta energy: -99.395
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: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1115.763331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.763331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.763331 (E_RNA)
where:
Base-Base interactions energy: -569.571
where: short stacking energy: -330.443
Base-Backbone interact. energy: 3.026
local terms energy: -549.219098
where:
bonds (distance) C4'-P energy: -153.109
bonds (distance) P-C4' energy: -159.600
flat angles C4'-P-C4' energy: -132.876
flat angles P-C4'-P energy: -87.323
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -984.765637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.765637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.765637 (E_RNA)
where:
Base-Base interactions energy: -492.138
where: short stacking energy: -303.159
Base-Backbone interact. energy: 4.366
local terms energy: -496.994037
where:
bonds (distance) C4'-P energy: -153.013
bonds (distance) P-C4' energy: -141.475
flat angles C4'-P-C4' energy: -121.999
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -840.225563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.225563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.225563 (E_RNA)
where:
Base-Base interactions energy: -392.797
where: short stacking energy: -262.293
Base-Backbone interact. energy: 2.814
local terms energy: -450.242859
where:
bonds (distance) C4'-P energy: -137.651
bonds (distance) P-C4' energy: -160.844
flat angles C4'-P-C4' energy: -114.768
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: 15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -714.284787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.284787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.284787 (E_RNA)
where:
Base-Base interactions energy: -290.496
where: short stacking energy: -210.565
Base-Backbone interact. energy: 2.891
local terms energy: -426.680139
where:
bonds (distance) C4'-P energy: -129.061
bonds (distance) P-C4' energy: -152.413
flat angles C4'-P-C4' energy: -126.582
flat angles P-C4'-P energy: -57.189
tors. eta vs tors. theta energy: 38.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2503.336112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.336112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.336112 (E_RNA)
where:
Base-Base interactions energy: -1604.337
where: short stacking energy: -746.344
Base-Backbone interact. energy: -6.358
local terms energy: -892.641158
where:
bonds (distance) C4'-P energy: -176.072
bonds (distance) P-C4' energy: -196.132
flat angles C4'-P-C4' energy: -205.378
flat angles P-C4'-P energy: -114.962
tors. eta vs tors. theta energy: -200.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2171.194935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.194935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.194935 (E_RNA)
where:
Base-Base interactions energy: -1347.258
where: short stacking energy: -700.752
Base-Backbone interact. energy: -0.638
local terms energy: -823.298843
where:
bonds (distance) C4'-P energy: -175.440
bonds (distance) P-C4' energy: -176.389
flat angles C4'-P-C4' energy: -190.242
flat angles P-C4'-P energy: -107.325
tors. eta vs tors. theta energy: -173.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2324.952689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.952689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.952689 (E_RNA)
where:
Base-Base interactions energy: -1500.969
where: short stacking energy: -713.626
Base-Backbone interact. energy: -1.081
local terms energy: -822.901890
where:
bonds (distance) C4'-P energy: -158.674
bonds (distance) P-C4' energy: -160.589
flat angles C4'-P-C4' energy: -184.511
flat angles P-C4'-P energy: -127.280
tors. eta vs tors. theta energy: -191.849
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: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1988.083370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.083370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.083370 (E_RNA)
where:
Base-Base interactions energy: -1212.642
where: short stacking energy: -598.978
Base-Backbone interact. energy: 0.939
local terms energy: -776.380649
where:
bonds (distance) C4'-P energy: -156.816
bonds (distance) P-C4' energy: -175.333
flat angles C4'-P-C4' energy: -176.584
flat angles P-C4'-P energy: -119.238
tors. eta vs tors. theta energy: -148.409
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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1799.841432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.841432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.841432 (E_RNA)
where:
Base-Base interactions energy: -1091.399
where: short stacking energy: -527.895
Base-Backbone interact. energy: -1.342
local terms energy: -707.100103
where:
bonds (distance) C4'-P energy: -155.404
bonds (distance) P-C4' energy: -157.766
flat angles C4'-P-C4' energy: -149.078
flat angles P-C4'-P energy: -105.165
tors. eta vs tors. theta energy: -139.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1741.114022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.114022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.114022 (E_RNA)
where:
Base-Base interactions energy: -1045.786
where: short stacking energy: -511.689
Base-Backbone interact. energy: -1.131
local terms energy: -694.197008
where:
bonds (distance) C4'-P energy: -169.664
bonds (distance) P-C4' energy: -157.483
flat angles C4'-P-C4' energy: -162.755
flat angles P-C4'-P energy: -112.347
tors. eta vs tors. theta energy: -91.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1145.528151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.528151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.528151 (E_RNA)
where:
Base-Base interactions energy: -548.139
where: short stacking energy: -334.726
Base-Backbone interact. energy: 3.840
local terms energy: -601.229203
where:
bonds (distance) C4'-P energy: -172.251
bonds (distance) P-C4' energy: -152.956
flat angles C4'-P-C4' energy: -162.883
flat angles P-C4'-P energy: -77.816
tors. eta vs tors. theta energy: -35.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1054.369856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.369856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.369856 (E_RNA)
where:
Base-Base interactions energy: -490.182
where: short stacking energy: -298.631
Base-Backbone interact. energy: 2.799
local terms energy: -566.986636
where:
bonds (distance) C4'-P energy: -155.751
bonds (distance) P-C4' energy: -164.377
flat angles C4'-P-C4' energy: -139.329
flat angles P-C4'-P energy: -92.113
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -799.486878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.486878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.486878 (E_RNA)
where:
Base-Base interactions energy: -316.864
where: short stacking energy: -217.711
Base-Backbone interact. energy: 1.197
local terms energy: -483.820393
where:
bonds (distance) C4'-P energy: -170.721
bonds (distance) P-C4' energy: -153.707
flat angles C4'-P-C4' energy: -110.348
flat angles P-C4'-P energy: -83.386
tors. eta vs tors. theta energy: 34.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -772.072698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.072698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.072698 (E_RNA)
where:
Base-Base interactions energy: -309.245
where: short stacking energy: -199.785
Base-Backbone interact. energy: -0.551
local terms energy: -462.276393
where:
bonds (distance) C4'-P energy: -156.267
bonds (distance) P-C4' energy: -143.661
flat angles C4'-P-C4' energy: -117.540
flat angles P-C4'-P energy: -65.520
tors. eta vs tors. theta energy: 20.711
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: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2463.586740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.586740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.586740 (E_RNA)
where:
Base-Base interactions energy: -1592.033
where: short stacking energy: -745.847
Base-Backbone interact. energy: -3.618
local terms energy: -867.935835
where:
bonds (distance) C4'-P energy: -161.756
bonds (distance) P-C4' energy: -189.737
flat angles C4'-P-C4' energy: -195.025
flat angles P-C4'-P energy: -127.234
tors. eta vs tors. theta energy: -194.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2474.302971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.302971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.302971 (E_RNA)
where:
Base-Base interactions energy: -1614.142
where: short stacking energy: -723.069
Base-Backbone interact. energy: -1.981
local terms energy: -858.179947
where:
bonds (distance) C4'-P energy: -177.431
bonds (distance) P-C4' energy: -177.555
flat angles C4'-P-C4' energy: -192.773
flat angles P-C4'-P energy: -115.577
tors. eta vs tors. theta energy: -194.844
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: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2077.431778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.431778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.431778 (E_RNA)
where:
Base-Base interactions energy: -1285.513
where: short stacking energy: -631.533
Base-Backbone interact. energy: -3.912
local terms energy: -788.006338
where:
bonds (distance) C4'-P energy: -177.063
bonds (distance) P-C4' energy: -159.161
flat angles C4'-P-C4' energy: -189.587
flat angles P-C4'-P energy: -102.997
tors. eta vs tors. theta energy: -159.198
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: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2007.992012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.992012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.992012 (E_RNA)
where:
Base-Base interactions energy: -1218.541
where: short stacking energy: -585.030
Base-Backbone interact. energy: -0.167
local terms energy: -789.284118
where:
bonds (distance) C4'-P energy: -174.362
bonds (distance) P-C4' energy: -183.631
flat angles C4'-P-C4' energy: -168.048
flat angles P-C4'-P energy: -103.662
tors. eta vs tors. theta energy: -159.582
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: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1937.520599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.520599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.520599 (E_RNA)
where:
Base-Base interactions energy: -1191.993
where: short stacking energy: -588.395
Base-Backbone interact. energy: -2.832
local terms energy: -742.695275
where:
bonds (distance) C4'-P energy: -153.905
bonds (distance) P-C4' energy: -165.946
flat angles C4'-P-C4' energy: -181.473
flat angles P-C4'-P energy: -98.442
tors. eta vs tors. theta energy: -142.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1824.755252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.755252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.755252 (E_RNA)
where:
Base-Base interactions energy: -1110.529
where: short stacking energy: -509.426
Base-Backbone interact. energy: -4.638
local terms energy: -709.587756
where:
bonds (distance) C4'-P energy: -161.455
bonds (distance) P-C4' energy: -152.391
flat angles C4'-P-C4' energy: -179.658
flat angles P-C4'-P energy: -105.687
tors. eta vs tors. theta energy: -110.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1163.543844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.543844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.543844 (E_RNA)
where:
Base-Base interactions energy: -568.245
where: short stacking energy: -356.514
Base-Backbone interact. energy: 2.011
local terms energy: -597.309746
where:
bonds (distance) C4'-P energy: -156.538
bonds (distance) P-C4' energy: -167.609
flat angles C4'-P-C4' energy: -132.929
flat angles P-C4'-P energy: -102.888
tors. eta vs tors. theta energy: -37.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1077.523860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.523860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.523860 (E_RNA)
where:
Base-Base interactions energy: -532.491
where: short stacking energy: -288.067
Base-Backbone interact. energy: -4.341
local terms energy: -540.692045
where:
bonds (distance) C4'-P energy: -150.509
bonds (distance) P-C4' energy: -153.892
flat angles C4'-P-C4' energy: -150.390
flat angles P-C4'-P energy: -84.690
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -817.978826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.978826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.978826 (E_RNA)
where:
Base-Base interactions energy: -355.627
where: short stacking energy: -244.861
Base-Backbone interact. energy: -0.324
local terms energy: -462.027881
where:
bonds (distance) C4'-P energy: -130.488
bonds (distance) P-C4' energy: -153.272
flat angles C4'-P-C4' energy: -114.487
flat angles P-C4'-P energy: -62.891
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -724.074567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.074567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.074567 (E_RNA)
where:
Base-Base interactions energy: -267.658
where: short stacking energy: -212.289
Base-Backbone interact. energy: 6.590
local terms energy: -463.006544
where:
bonds (distance) C4'-P energy: -165.186
bonds (distance) P-C4' energy: -144.256
flat angles C4'-P-C4' energy: -124.565
flat angles P-C4'-P energy: -75.866
tors. eta vs tors. theta energy: 46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2614.390809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.390809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.390809 (E_RNA)
where:
Base-Base interactions energy: -1687.459
where: short stacking energy: -735.496
Base-Backbone interact. energy: -0.590
local terms energy: -926.342151
where:
bonds (distance) C4'-P energy: -191.836
bonds (distance) P-C4' energy: -192.453
flat angles C4'-P-C4' energy: -218.459
flat angles P-C4'-P energy: -118.454
tors. eta vs tors. theta energy: -205.140
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: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2387.357815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.357815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.357815 (E_RNA)
where:
Base-Base interactions energy: -1528.026
where: short stacking energy: -678.294
Base-Backbone interact. energy: -0.099
local terms energy: -859.232801
where:
bonds (distance) C4'-P energy: -189.310
bonds (distance) P-C4' energy: -181.998
flat angles C4'-P-C4' energy: -181.587
flat angles P-C4'-P energy: -125.671
tors. eta vs tors. theta energy: -180.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2134.936277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.936277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.936277 (E_RNA)
where:
Base-Base interactions energy: -1310.437
where: short stacking energy: -646.440
Base-Backbone interact. energy: 0.269
local terms energy: -824.768191
where:
bonds (distance) C4'-P energy: -157.808
bonds (distance) P-C4' energy: -189.183
flat angles C4'-P-C4' energy: -187.443
flat angles P-C4'-P energy: -108.735
tors. eta vs tors. theta energy: -181.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2022.567067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.567067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.567067 (E_RNA)
where:
Base-Base interactions energy: -1267.960
where: short stacking energy: -620.671
Base-Backbone interact. energy: -2.986
local terms energy: -751.621418
where:
bonds (distance) C4'-P energy: -176.773
bonds (distance) P-C4' energy: -178.709
flat angles C4'-P-C4' energy: -171.459
flat angles P-C4'-P energy: -86.391
tors. eta vs tors. theta energy: -138.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1990.622259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.622259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.622259 (E_RNA)
where:
Base-Base interactions energy: -1248.381
where: short stacking energy: -575.467
Base-Backbone interact. energy: 3.892
local terms energy: -746.133819
where:
bonds (distance) C4'-P energy: -158.271
bonds (distance) P-C4' energy: -166.222
flat angles C4'-P-C4' energy: -168.740
flat angles P-C4'-P energy: -109.733
tors. eta vs tors. theta energy: -143.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1817.451316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.451316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.451316 (E_RNA)
where:
Base-Base interactions energy: -1136.005
where: short stacking energy: -536.910
Base-Backbone interact. energy: -0.914
local terms energy: -680.532700
where:
bonds (distance) C4'-P energy: -149.917
bonds (distance) P-C4' energy: -166.156
flat angles C4'-P-C4' energy: -164.966
flat angles P-C4'-P energy: -85.641
tors. eta vs tors. theta energy: -113.854
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: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1182.332000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.332000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.332000 (E_RNA)
where:
Base-Base interactions energy: -604.059
where: short stacking energy: -375.920
Base-Backbone interact. energy: 8.159
local terms energy: -586.432041
where:
bonds (distance) C4'-P energy: -149.586
bonds (distance) P-C4' energy: -158.290
flat angles C4'-P-C4' energy: -143.770
flat angles P-C4'-P energy: -77.588
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1148.104868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.104868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.104868 (E_RNA)
where:
Base-Base interactions energy: -572.380
where: short stacking energy: -319.392
Base-Backbone interact. energy: 1.841
local terms energy: -577.565704
where:
bonds (distance) C4'-P energy: -148.176
bonds (distance) P-C4' energy: -171.050
flat angles C4'-P-C4' energy: -136.174
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -24.213
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: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -810.140054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.140054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.140054 (E_RNA)
where:
Base-Base interactions energy: -322.580
where: short stacking energy: -238.063
Base-Backbone interact. energy: -1.121
local terms energy: -486.439594
where:
bonds (distance) C4'-P energy: -130.887
bonds (distance) P-C4' energy: -144.497
flat angles C4'-P-C4' energy: -139.379
flat angles P-C4'-P energy: -58.622
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -753.987242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.987242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.987242 (E_RNA)
where:
Base-Base interactions energy: -309.942
where: short stacking energy: -188.053
Base-Backbone interact. energy: -1.542
local terms energy: -442.502890
where:
bonds (distance) C4'-P energy: -144.374
bonds (distance) P-C4' energy: -152.053
flat angles C4'-P-C4' energy: -122.576
flat angles P-C4'-P energy: -66.523
tors. eta vs tors. theta energy: 43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2604.148869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.148869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.148869 (E_RNA)
where:
Base-Base interactions energy: -1685.405
where: short stacking energy: -765.824
Base-Backbone interact. energy: -2.649
local terms energy: -916.094793
where:
bonds (distance) C4'-P energy: -198.926
bonds (distance) P-C4' energy: -192.462
flat angles C4'-P-C4' energy: -183.638
flat angles P-C4'-P energy: -118.949
tors. eta vs tors. theta energy: -222.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2364.797516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.797516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.797516 (E_RNA)
where:
Base-Base interactions energy: -1546.856
where: short stacking energy: -712.794
Base-Backbone interact. energy: -1.297
local terms energy: -816.643957
where:
bonds (distance) C4'-P energy: -174.182
bonds (distance) P-C4' energy: -176.276
flat angles C4'-P-C4' energy: -176.257
flat angles P-C4'-P energy: -106.413
tors. eta vs tors. theta energy: -183.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2055.118509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.118509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.118509 (E_RNA)
where:
Base-Base interactions energy: -1259.959
where: short stacking energy: -638.640
Base-Backbone interact. energy: -4.839
local terms energy: -790.320069
where:
bonds (distance) C4'-P energy: -175.962
bonds (distance) P-C4' energy: -184.219
flat angles C4'-P-C4' energy: -174.993
flat angles P-C4'-P energy: -101.336
tors. eta vs tors. theta energy: -153.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2077.669013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.669013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.669013 (E_RNA)
where:
Base-Base interactions energy: -1312.819
where: short stacking energy: -646.060
Base-Backbone interact. energy: -3.424
local terms energy: -761.426268
where:
bonds (distance) C4'-P energy: -145.077
bonds (distance) P-C4' energy: -181.486
flat angles C4'-P-C4' energy: -168.084
flat angles P-C4'-P energy: -100.371
tors. eta vs tors. theta energy: -166.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1927.293796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.293796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.293796 (E_RNA)
where:
Base-Base interactions energy: -1186.786
where: short stacking energy: -560.202
Base-Backbone interact. energy: -0.581
local terms energy: -739.926577
where:
bonds (distance) C4'-P energy: -167.482
bonds (distance) P-C4' energy: -141.529
flat angles C4'-P-C4' energy: -175.421
flat angles P-C4'-P energy: -113.178
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: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1869.788875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.788875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.788875 (E_RNA)
where:
Base-Base interactions energy: -1172.918
where: short stacking energy: -528.136
Base-Backbone interact. energy: -0.317
local terms energy: -696.553468
where:
bonds (distance) C4'-P energy: -147.178
bonds (distance) P-C4' energy: -170.115
flat angles C4'-P-C4' energy: -160.107
flat angles P-C4'-P energy: -109.120
tors. eta vs tors. theta energy: -110.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1207.134433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.134433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.134433 (E_RNA)
where:
Base-Base interactions energy: -657.681
where: short stacking energy: -360.616
Base-Backbone interact. energy: 2.767
local terms energy: -552.220087
where:
bonds (distance) C4'-P energy: -138.386
bonds (distance) P-C4' energy: -144.532
flat angles C4'-P-C4' energy: -155.423
flat angles P-C4'-P energy: -89.109
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1244.133726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.133726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.133726 (E_RNA)
where:
Base-Base interactions energy: -703.998
where: short stacking energy: -335.863
Base-Backbone interact. energy: -2.921
local terms energy: -537.214802
where:
bonds (distance) C4'-P energy: -132.230
bonds (distance) P-C4' energy: -162.041
flat angles C4'-P-C4' energy: -147.656
flat angles P-C4'-P energy: -76.839
tors. eta vs tors. theta energy: -18.449
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: 35
Temperature: 1.300000
Total energy: -850.114108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.114108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.114108 (E_RNA)
where:
Base-Base interactions energy: -343.469
where: short stacking energy: -221.388
Base-Backbone interact. energy: -0.313
local terms energy: -506.331698
where:
bonds (distance) C4'-P energy: -146.276
bonds (distance) P-C4' energy: -158.829
flat angles C4'-P-C4' energy: -147.173
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: 12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -702.669216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.669216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.669216 (E_RNA)
where:
Base-Base interactions energy: -278.246
where: short stacking energy: -171.498
Base-Backbone interact. energy: 1.693
local terms energy: -426.115885
where:
bonds (distance) C4'-P energy: -136.008
bonds (distance) P-C4' energy: -166.498
flat angles C4'-P-C4' energy: -113.695
flat angles P-C4'-P energy: -60.690
tors. eta vs tors. theta energy: 50.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2636.544278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.544278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.544278 (E_RNA)
where:
Base-Base interactions energy: -1730.889
where: short stacking energy: -754.043
Base-Backbone interact. energy: -3.661
local terms energy: -901.993384
where:
bonds (distance) C4'-P energy: -185.625
bonds (distance) P-C4' energy: -187.929
flat angles C4'-P-C4' energy: -196.377
flat angles P-C4'-P energy: -122.161
tors. eta vs tors. theta energy: -209.901
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: 36
Temperature: 0.950000
Total energy: -2389.067826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.067826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.067826 (E_RNA)
where:
Base-Base interactions energy: -1555.168
where: short stacking energy: -723.460
Base-Backbone interact. energy: -4.417
local terms energy: -829.482619
where:
bonds (distance) C4'-P energy: -164.838
bonds (distance) P-C4' energy: -172.225
flat angles C4'-P-C4' energy: -182.506
flat angles P-C4'-P energy: -122.225
tors. eta vs tors. theta energy: -187.689
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: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2171.853308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.853308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.853308 (E_RNA)
where:
Base-Base interactions energy: -1347.032
where: short stacking energy: -670.101
Base-Backbone interact. energy: -1.905
local terms energy: -822.917028
where:
bonds (distance) C4'-P energy: -171.287
bonds (distance) P-C4' energy: -189.790
flat angles C4'-P-C4' energy: -171.062
flat angles P-C4'-P energy: -135.742
tors. eta vs tors. theta energy: -155.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1938.528201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.528201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.528201 (E_RNA)
where:
Base-Base interactions energy: -1181.224
where: short stacking energy: -584.495
Base-Backbone interact. energy: -1.004
local terms energy: -756.299819
where:
bonds (distance) C4'-P energy: -159.899
bonds (distance) P-C4' energy: -181.203
flat angles C4'-P-C4' energy: -166.517
flat angles P-C4'-P energy: -97.353
tors. eta vs tors. theta energy: -151.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1971.593292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.593292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.593292 (E_RNA)
where:
Base-Base interactions energy: -1211.128
where: short stacking energy: -586.007
Base-Backbone interact. energy: -2.174
local terms energy: -758.291793
where:
bonds (distance) C4'-P energy: -158.770
bonds (distance) P-C4' energy: -163.710
flat angles C4'-P-C4' energy: -185.388
flat angles P-C4'-P energy: -114.937
tors. eta vs tors. theta energy: -135.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1826.255842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.255842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.255842 (E_RNA)
where:
Base-Base interactions energy: -1132.155
where: short stacking energy: -515.186
Base-Backbone interact. energy: -1.512
local terms energy: -692.589103
where:
bonds (distance) C4'-P energy: -155.106
bonds (distance) P-C4' energy: -168.421
flat angles C4'-P-C4' energy: -162.288
flat angles P-C4'-P energy: -89.819
tors. eta vs tors. theta energy: -116.954
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: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1276.080809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.080809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.080809 (E_RNA)
where:
Base-Base interactions energy: -708.193
where: short stacking energy: -388.201
Base-Backbone interact. energy: 0.594
local terms energy: -568.481776
where:
bonds (distance) C4'-P energy: -129.557
bonds (distance) P-C4' energy: -149.173
flat angles C4'-P-C4' energy: -142.658
flat angles P-C4'-P energy: -87.683
tors. eta vs tors. theta energy: -59.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1107.440471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.440471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.440471 (E_RNA)
where:
Base-Base interactions energy: -612.294
where: short stacking energy: -338.463
Base-Backbone interact. energy: 1.226
local terms energy: -496.372683
where:
bonds (distance) C4'-P energy: -121.495
bonds (distance) P-C4' energy: -155.335
flat angles C4'-P-C4' energy: -123.101
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -778.968861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.968861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.968861 (E_RNA)
where:
Base-Base interactions energy: -318.608
where: short stacking energy: -211.258
Base-Backbone interact. energy: -0.441
local terms energy: -459.920068
where:
bonds (distance) C4'-P energy: -156.271
bonds (distance) P-C4' energy: -152.328
flat angles C4'-P-C4' energy: -117.916
flat angles P-C4'-P energy: -73.346
tors. eta vs tors. theta energy: 39.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -719.268473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.268473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.268473 (E_RNA)
where:
Base-Base interactions energy: -278.425
where: short stacking energy: -197.662
Base-Backbone interact. energy: 5.633
local terms energy: -446.477098
where:
bonds (distance) C4'-P energy: -123.765
bonds (distance) P-C4' energy: -147.857
flat angles C4'-P-C4' energy: -137.854
flat angles P-C4'-P energy: -65.782
tors. eta vs tors. theta energy: 28.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2669.784026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.784026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.784026 (E_RNA)
where:
Base-Base interactions energy: -1766.849
where: short stacking energy: -793.085
Base-Backbone interact. energy: -0.130
local terms energy: -902.805523
where:
bonds (distance) C4'-P energy: -176.482
bonds (distance) P-C4' energy: -183.031
flat angles C4'-P-C4' energy: -199.545
flat angles P-C4'-P energy: -130.955
tors. eta vs tors. theta energy: -212.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2347.819583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.819583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.819583 (E_RNA)
where:
Base-Base interactions energy: -1501.080
where: short stacking energy: -716.733
Base-Backbone interact. energy: -3.070
local terms energy: -843.670166
where:
bonds (distance) C4'-P energy: -174.039
bonds (distance) P-C4' energy: -179.028
flat angles C4'-P-C4' energy: -184.081
flat angles P-C4'-P energy: -113.714
tors. eta vs tors. theta energy: -192.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2199.446258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.446258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.446258 (E_RNA)
where:
Base-Base interactions energy: -1389.724
where: short stacking energy: -672.356
Base-Backbone interact. energy: 1.239
local terms energy: -810.960939
where:
bonds (distance) C4'-P energy: -155.270
bonds (distance) P-C4' energy: -175.768
flat angles C4'-P-C4' energy: -182.542
flat angles P-C4'-P energy: -120.134
tors. eta vs tors. theta energy: -177.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2067.731308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.731308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.731308 (E_RNA)
where:
Base-Base interactions energy: -1289.826
where: short stacking energy: -643.781
Base-Backbone interact. energy: 1.148
local terms energy: -779.053645
where:
bonds (distance) C4'-P energy: -169.961
bonds (distance) P-C4' energy: -171.003
flat angles C4'-P-C4' energy: -157.698
flat angles P-C4'-P energy: -121.519
tors. eta vs tors. theta energy: -158.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1933.873650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.873650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.873650 (E_RNA)
where:
Base-Base interactions energy: -1209.699
where: short stacking energy: -583.766
Base-Backbone interact. energy: 1.587
local terms energy: -725.762131
where:
bonds (distance) C4'-P energy: -151.360
bonds (distance) P-C4' energy: -168.795
flat angles C4'-P-C4' energy: -151.329
flat angles P-C4'-P energy: -117.271
tors. eta vs tors. theta energy: -137.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1831.747944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.747944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.747944 (E_RNA)
where:
Base-Base interactions energy: -1118.121
where: short stacking energy: -511.666
Base-Backbone interact. energy: -2.583
local terms energy: -711.043969
where:
bonds (distance) C4'-P energy: -152.495
bonds (distance) P-C4' energy: -156.636
flat angles C4'-P-C4' energy: -174.104
flat angles P-C4'-P energy: -111.541
tors. eta vs tors. theta energy: -116.268
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: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1185.819652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.819652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.819652 (E_RNA)
where:
Base-Base interactions energy: -614.169
where: short stacking energy: -343.078
Base-Backbone interact. energy: 0.503
local terms energy: -572.153270
where:
bonds (distance) C4'-P energy: -153.602
bonds (distance) P-C4' energy: -169.204
flat angles C4'-P-C4' energy: -144.628
flat angles P-C4'-P energy: -76.207
tors. eta vs tors. theta energy: -28.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1107.994130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.994130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.994130 (E_RNA)
where:
Base-Base interactions energy: -564.022
where: short stacking energy: -309.711
Base-Backbone interact. energy: 0.695
local terms energy: -544.666784
where:
bonds (distance) C4'-P energy: -134.975
bonds (distance) P-C4' energy: -155.870
flat angles C4'-P-C4' energy: -150.562
flat angles P-C4'-P energy: -84.705
tors. eta vs tors. theta energy: -18.556
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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -774.071636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.071636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.071636 (E_RNA)
where:
Base-Base interactions energy: -297.798
where: short stacking energy: -214.805
Base-Backbone interact. energy: 1.415
local terms energy: -477.688477
where:
bonds (distance) C4'-P energy: -134.807
bonds (distance) P-C4' energy: -153.988
flat angles C4'-P-C4' energy: -119.711
flat angles P-C4'-P energy: -83.988
tors. eta vs tors. theta energy: 14.806
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: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -696.629037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.629037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.629037 (E_RNA)
where:
Base-Base interactions energy: -271.510
where: short stacking energy: -153.669
Base-Backbone interact. energy: 1.298
local terms energy: -426.417907
where:
bonds (distance) C4'-P energy: -134.753
bonds (distance) P-C4' energy: -147.324
flat angles C4'-P-C4' energy: -140.451
flat angles P-C4'-P energy: -64.332
tors. eta vs tors. theta energy: 60.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2677.925766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.925766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.925766 (E_RNA)
where:
Base-Base interactions energy: -1776.268
where: short stacking energy: -769.425
Base-Backbone interact. energy: -6.598
local terms energy: -895.060033
where:
bonds (distance) C4'-P energy: -165.594
bonds (distance) P-C4' energy: -174.868
flat angles C4'-P-C4' energy: -205.641
flat angles P-C4'-P energy: -140.508
tors. eta vs tors. theta energy: -208.449
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: 38
Temperature: 0.950000
Total energy: -2324.342211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.342211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.342211 (E_RNA)
where:
Base-Base interactions energy: -1446.598
where: short stacking energy: -733.228
Base-Backbone interact. energy: -2.018
local terms energy: -875.725393
where:
bonds (distance) C4'-P energy: -185.692
bonds (distance) P-C4' energy: -188.880
flat angles C4'-P-C4' energy: -187.144
flat angles P-C4'-P energy: -125.691
tors. eta vs tors. theta energy: -188.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2250.414233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.414233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.414233 (E_RNA)
where:
Base-Base interactions energy: -1395.974
where: short stacking energy: -683.311
Base-Backbone interact. energy: -6.393
local terms energy: -848.046958
where:
bonds (distance) C4'-P energy: -181.216
bonds (distance) P-C4' energy: -173.044
flat angles C4'-P-C4' energy: -199.600
flat angles P-C4'-P energy: -121.980
tors. eta vs tors. theta energy: -172.206
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: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2017.764555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.764555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.764555 (E_RNA)
where:
Base-Base interactions energy: -1273.658
where: short stacking energy: -602.376
Base-Backbone interact. energy: 1.670
local terms energy: -745.777003
where:
bonds (distance) C4'-P energy: -151.830
bonds (distance) P-C4' energy: -169.695
flat angles C4'-P-C4' energy: -175.649
flat angles P-C4'-P energy: -105.642
tors. eta vs tors. theta energy: -142.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2027.071680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.071680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.071680 (E_RNA)
where:
Base-Base interactions energy: -1274.907
where: short stacking energy: -569.009
Base-Backbone interact. energy: -1.627
local terms energy: -750.537940
where:
bonds (distance) C4'-P energy: -156.441
bonds (distance) P-C4' energy: -155.467
flat angles C4'-P-C4' energy: -177.179
flat angles P-C4'-P energy: -109.631
tors. eta vs tors. theta energy: -151.819
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: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1888.376397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.376397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.376397 (E_RNA)
where:
Base-Base interactions energy: -1237.873
where: short stacking energy: -522.340
Base-Backbone interact. energy: 0.142
local terms energy: -650.645894
where:
bonds (distance) C4'-P energy: -136.699
bonds (distance) P-C4' energy: -149.221
flat angles C4'-P-C4' energy: -165.841
flat angles P-C4'-P energy: -85.301
tors. eta vs tors. theta energy: -113.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1121.950707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.950707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.950707 (E_RNA)
where:
Base-Base interactions energy: -580.771
where: short stacking energy: -339.757
Base-Backbone interact. energy: -2.841
local terms energy: -538.338528
where:
bonds (distance) C4'-P energy: -146.004
bonds (distance) P-C4' energy: -153.559
flat angles C4'-P-C4' energy: -128.669
flat angles P-C4'-P energy: -80.951
tors. eta vs tors. theta energy: -29.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1142.127755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.127755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.127755 (E_RNA)
where:
Base-Base interactions energy: -629.418
where: short stacking energy: -355.344
Base-Backbone interact. energy: -2.204
local terms energy: -510.505708
where:
bonds (distance) C4'-P energy: -124.485
bonds (distance) P-C4' energy: -147.974
flat angles C4'-P-C4' energy: -130.506
flat angles P-C4'-P energy: -78.334
tors. eta vs tors. theta energy: -29.208
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: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -830.691449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.691449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.691449 (E_RNA)
where:
Base-Base interactions energy: -307.185
where: short stacking energy: -232.014
Base-Backbone interact. energy: 2.644
local terms energy: -526.150011
where:
bonds (distance) C4'-P energy: -141.200
bonds (distance) P-C4' energy: -163.907
flat angles C4'-P-C4' energy: -129.309
flat angles P-C4'-P energy: -90.406
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -772.364400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.364400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.364400 (E_RNA)
where:
Base-Base interactions energy: -287.437
where: short stacking energy: -205.880
Base-Backbone interact. energy: 6.441
local terms energy: -491.368510
where:
bonds (distance) C4'-P energy: -163.337
bonds (distance) P-C4' energy: -177.173
flat angles C4'-P-C4' energy: -110.221
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: 31.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2679.267434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.267434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.267434 (E_RNA)
where:
Base-Base interactions energy: -1792.153
where: short stacking energy: -774.584
Base-Backbone interact. energy: -0.274
local terms energy: -886.839956
where:
bonds (distance) C4'-P energy: -168.287
bonds (distance) P-C4' energy: -189.194
flat angles C4'-P-C4' energy: -193.661
flat angles P-C4'-P energy: -109.859
tors. eta vs tors. theta energy: -225.839
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: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2396.604475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.604475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.604475 (E_RNA)
where:
Base-Base interactions energy: -1529.302
where: short stacking energy: -708.104
Base-Backbone interact. energy: -3.677
local terms energy: -863.625632
where:
bonds (distance) C4'-P energy: -187.784
bonds (distance) P-C4' energy: -183.094
flat angles C4'-P-C4' energy: -196.516
flat angles P-C4'-P energy: -100.807
tors. eta vs tors. theta energy: -195.425
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: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2239.861757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.861757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.861757 (E_RNA)
where:
Base-Base interactions energy: -1408.209
where: short stacking energy: -664.668
Base-Backbone interact. energy: -0.988
local terms energy: -830.664214
where:
bonds (distance) C4'-P energy: -176.031
bonds (distance) P-C4' energy: -168.292
flat angles C4'-P-C4' energy: -184.978
flat angles P-C4'-P energy: -133.787
tors. eta vs tors. theta energy: -167.575
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: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2161.526230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.526230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.526230 (E_RNA)
where:
Base-Base interactions energy: -1351.189
where: short stacking energy: -622.369
Base-Backbone interact. energy: -2.118
local terms energy: -808.219958
where:
bonds (distance) C4'-P energy: -178.122
bonds (distance) P-C4' energy: -177.610
flat angles C4'-P-C4' energy: -178.477
flat angles P-C4'-P energy: -111.316
tors. eta vs tors. theta energy: -162.696
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: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1928.598397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.598397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.598397 (E_RNA)
where:
Base-Base interactions energy: -1205.348
where: short stacking energy: -569.660
Base-Backbone interact. energy: 4.245
local terms energy: -727.495459
where:
bonds (distance) C4'-P energy: -157.107
bonds (distance) P-C4' energy: -172.061
flat angles C4'-P-C4' energy: -161.316
flat angles P-C4'-P energy: -103.680
tors. eta vs tors. theta energy: -133.332
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: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1918.833014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.833014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.833014 (E_RNA)
where:
Base-Base interactions energy: -1230.531
where: short stacking energy: -538.242
Base-Backbone interact. energy: -2.024
local terms energy: -686.278398
where:
bonds (distance) C4'-P energy: -163.122
bonds (distance) P-C4' energy: -128.735
flat angles C4'-P-C4' energy: -172.350
flat angles P-C4'-P energy: -90.559
tors. eta vs tors. theta energy: -131.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1159.493883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.493883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.493883 (E_RNA)
where:
Base-Base interactions energy: -560.584
where: short stacking energy: -339.538
Base-Backbone interact. energy: -0.901
local terms energy: -598.008601
where:
bonds (distance) C4'-P energy: -163.825
bonds (distance) P-C4' energy: -160.786
flat angles C4'-P-C4' energy: -139.681
flat angles P-C4'-P energy: -85.420
tors. eta vs tors. theta energy: -48.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1127.743196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.743196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.743196 (E_RNA)
where:
Base-Base interactions energy: -602.028
where: short stacking energy: -320.837
Base-Backbone interact. energy: -1.624
local terms energy: -524.091094
where:
bonds (distance) C4'-P energy: -141.619
bonds (distance) P-C4' energy: -134.543
flat angles C4'-P-C4' energy: -137.473
flat angles P-C4'-P energy: -90.505
tors. eta vs tors. theta energy: -19.951
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -838.028727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.028727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.028727 (E_RNA)
where:
Base-Base interactions energy: -353.530
where: short stacking energy: -224.889
Base-Backbone interact. energy: -0.586
local terms energy: -483.912324
where:
bonds (distance) C4'-P energy: -133.094
bonds (distance) P-C4' energy: -150.783
flat angles C4'-P-C4' energy: -133.044
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: 2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -729.813934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.813934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.813934 (E_RNA)
where:
Base-Base interactions energy: -293.305
where: short stacking energy: -211.824
Base-Backbone interact. energy: 9.221
local terms energy: -445.729421
where:
bonds (distance) C4'-P energy: -122.850
bonds (distance) P-C4' energy: -128.775
flat angles C4'-P-C4' energy: -138.051
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: 24.158
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: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2704.887422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.887422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.887422 (E_RNA)
where:
Base-Base interactions energy: -1807.692
where: short stacking energy: -777.813
Base-Backbone interact. energy: -3.284
local terms energy: -893.911824
where:
bonds (distance) C4'-P energy: -170.619
bonds (distance) P-C4' energy: -200.516
flat angles C4'-P-C4' energy: -210.192
flat angles P-C4'-P energy: -102.172
tors. eta vs tors. theta energy: -210.413
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: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2359.437551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.437551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.437551 (E_RNA)
where:
Base-Base interactions energy: -1501.784
where: short stacking energy: -717.658
Base-Backbone interact. energy: -5.877
local terms energy: -851.776446
where:
bonds (distance) C4'-P energy: -185.735
bonds (distance) P-C4' energy: -172.484
flat angles C4'-P-C4' energy: -186.689
flat angles P-C4'-P energy: -114.298
tors. eta vs tors. theta energy: -192.570
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2217.685360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.685360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.685360 (E_RNA)
where:
Base-Base interactions energy: -1357.785
where: short stacking energy: -655.874
Base-Backbone interact. energy: -1.805
local terms energy: -858.095771
where:
bonds (distance) C4'-P energy: -176.709
bonds (distance) P-C4' energy: -192.843
flat angles C4'-P-C4' energy: -197.753
flat angles P-C4'-P energy: -119.269
tors. eta vs tors. theta energy: -171.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2083.083282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.083282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.083282 (E_RNA)
where:
Base-Base interactions energy: -1308.106
where: short stacking energy: -618.703
Base-Backbone interact. energy: -4.831
local terms energy: -770.146636
where:
bonds (distance) C4'-P energy: -143.822
bonds (distance) P-C4' energy: -162.717
flat angles C4'-P-C4' energy: -183.918
flat angles P-C4'-P energy: -108.192
tors. eta vs tors. theta energy: -171.497
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: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1996.353366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.353366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.353366 (E_RNA)
where:
Base-Base interactions energy: -1260.017
where: short stacking energy: -565.211
Base-Backbone interact. energy: -0.269
local terms energy: -736.067494
where:
bonds (distance) C4'-P energy: -171.604
bonds (distance) P-C4' energy: -158.379
flat angles C4'-P-C4' energy: -168.979
flat angles P-C4'-P energy: -107.099
tors. eta vs tors. theta energy: -130.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1770.025853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.025853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.025853 (E_RNA)
where:
Base-Base interactions energy: -1068.490
where: short stacking energy: -530.656
Base-Backbone interact. energy: -1.276
local terms energy: -700.260115
where:
bonds (distance) C4'-P energy: -153.073
bonds (distance) P-C4' energy: -145.477
flat angles C4'-P-C4' energy: -169.101
flat angles P-C4'-P energy: -108.609
tors. eta vs tors. theta energy: -124.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1233.690614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.690614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.690614 (E_RNA)
where:
Base-Base interactions energy: -652.210
where: short stacking energy: -363.666
Base-Backbone interact. energy: -2.012
local terms energy: -579.468919
where:
bonds (distance) C4'-P energy: -167.178
bonds (distance) P-C4' energy: -159.049
flat angles C4'-P-C4' energy: -141.546
flat angles P-C4'-P energy: -99.087
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1133.927162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.927162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.927162 (E_RNA)
where:
Base-Base interactions energy: -610.436
where: short stacking energy: -309.263
Base-Backbone interact. energy: -3.469
local terms energy: -520.022782
where:
bonds (distance) C4'-P energy: -150.775
bonds (distance) P-C4' energy: -146.171
flat angles C4'-P-C4' energy: -134.827
flat angles P-C4'-P energy: -83.020
tors. eta vs tors. theta energy: -5.230
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: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -845.956770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.956770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.956770 (E_RNA)
where:
Base-Base interactions energy: -325.652
where: short stacking energy: -235.109
Base-Backbone interact. energy: 6.096
local terms energy: -526.400765
where:
bonds (distance) C4'-P energy: -145.672
bonds (distance) P-C4' energy: -139.227
flat angles C4'-P-C4' energy: -147.862
flat angles P-C4'-P energy: -95.606
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -760.404946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.404946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.404946 (E_RNA)
where:
Base-Base interactions energy: -299.750
where: short stacking energy: -224.983
Base-Backbone interact. energy: 2.428
local terms energy: -463.082772
where:
bonds (distance) C4'-P energy: -155.163
bonds (distance) P-C4' energy: -148.614
flat angles C4'-P-C4' energy: -126.385
flat angles P-C4'-P energy: -67.468
tors. eta vs tors. theta energy: 34.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2731.294255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.294255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.294255 (E_RNA)
where:
Base-Base interactions energy: -1836.265
where: short stacking energy: -774.270
Base-Backbone interact. energy: 0.660
local terms energy: -895.689643
where:
bonds (distance) C4'-P energy: -174.999
bonds (distance) P-C4' energy: -193.460
flat angles C4'-P-C4' energy: -202.280
flat angles P-C4'-P energy: -120.877
tors. eta vs tors. theta energy: -204.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2385.150732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.150732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.150732 (E_RNA)
where:
Base-Base interactions energy: -1520.245
where: short stacking energy: -712.055
Base-Backbone interact. energy: -6.605
local terms energy: -858.300731
where:
bonds (distance) C4'-P energy: -183.791
bonds (distance) P-C4' energy: -178.305
flat angles C4'-P-C4' energy: -191.243
flat angles P-C4'-P energy: -119.152
tors. eta vs tors. theta energy: -185.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2315.511183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.511183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.511183 (E_RNA)
where:
Base-Base interactions energy: -1474.928
where: short stacking energy: -713.943
Base-Backbone interact. energy: 0.378
local terms energy: -840.960966
where:
bonds (distance) C4'-P energy: -158.942
bonds (distance) P-C4' energy: -186.424
flat angles C4'-P-C4' energy: -185.427
flat angles P-C4'-P energy: -119.866
tors. eta vs tors. theta energy: -190.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2233.074365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.074365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.074365 (E_RNA)
where:
Base-Base interactions energy: -1451.862
where: short stacking energy: -671.476
Base-Backbone interact. energy: -3.710
local terms energy: -777.502023
where:
bonds (distance) C4'-P energy: -166.726
bonds (distance) P-C4' energy: -151.852
flat angles C4'-P-C4' energy: -169.570
flat angles P-C4'-P energy: -108.137
tors. eta vs tors. theta energy: -181.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1991.786225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.786225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.786225 (E_RNA)
where:
Base-Base interactions energy: -1282.377
where: short stacking energy: -613.921
Base-Backbone interact. energy: 0.716
local terms energy: -710.124509
where:
bonds (distance) C4'-P energy: -159.793
bonds (distance) P-C4' energy: -140.216
flat angles C4'-P-C4' energy: -166.298
flat angles P-C4'-P energy: -90.791
tors. eta vs tors. theta energy: -153.027
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: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1707.643817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.643817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.643817 (E_RNA)
where:
Base-Base interactions energy: -1049.526
where: short stacking energy: -489.347
Base-Backbone interact. energy: -3.776
local terms energy: -654.342568
where:
bonds (distance) C4'-P energy: -144.017
bonds (distance) P-C4' energy: -140.139
flat angles C4'-P-C4' energy: -174.152
flat angles P-C4'-P energy: -93.023
tors. eta vs tors. theta energy: -103.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1219.241862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.241862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.241862 (E_RNA)
where:
Base-Base interactions energy: -647.312
where: short stacking energy: -347.335
Base-Backbone interact. energy: 2.199
local terms energy: -574.129482
where:
bonds (distance) C4'-P energy: -157.202
bonds (distance) P-C4' energy: -163.956
flat angles C4'-P-C4' energy: -120.971
flat angles P-C4'-P energy: -87.705
tors. eta vs tors. theta energy: -44.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1101.940900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.940900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.940900 (E_RNA)
where:
Base-Base interactions energy: -562.474
where: short stacking energy: -309.591
Base-Backbone interact. energy: 4.764
local terms energy: -544.231073
where:
bonds (distance) C4'-P energy: -154.992
bonds (distance) P-C4' energy: -154.455
flat angles C4'-P-C4' energy: -155.828
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -827.438995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.438995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.438995 (E_RNA)
where:
Base-Base interactions energy: -366.316
where: short stacking energy: -232.511
Base-Backbone interact. energy: 2.323
local terms energy: -463.446397
where:
bonds (distance) C4'-P energy: -162.809
bonds (distance) P-C4' energy: -142.566
flat angles C4'-P-C4' energy: -121.884
flat angles P-C4'-P energy: -56.546
tors. eta vs tors. theta energy: 20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -748.098451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.098451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.098451 (E_RNA)
where:
Base-Base interactions energy: -308.378
where: short stacking energy: -231.088
Base-Backbone interact. energy: 4.759
local terms energy: -444.479266
where:
bonds (distance) C4'-P energy: -154.273
bonds (distance) P-C4' energy: -150.044
flat angles C4'-P-C4' energy: -114.250
flat angles P-C4'-P energy: -55.554
tors. eta vs tors. theta energy: 29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2793.507936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.507936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.507936 (E_RNA)
where:
Base-Base interactions energy: -1902.929
where: short stacking energy: -783.107
Base-Backbone interact. energy: -2.985
local terms energy: -887.594138
where:
bonds (distance) C4'-P energy: -177.837
bonds (distance) P-C4' energy: -183.312
flat angles C4'-P-C4' energy: -197.513
flat angles P-C4'-P energy: -113.069
tors. eta vs tors. theta energy: -215.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2409.777412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.777412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.777412 (E_RNA)
where:
Base-Base interactions energy: -1531.016
where: short stacking energy: -706.529
Base-Backbone interact. energy: -1.359
local terms energy: -877.402810
where:
bonds (distance) C4'-P energy: -190.832
bonds (distance) P-C4' energy: -196.192
flat angles C4'-P-C4' energy: -191.964
flat angles P-C4'-P energy: -110.752
tors. eta vs tors. theta energy: -187.663
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2380.200161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.200161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.200161 (E_RNA)
where:
Base-Base interactions energy: -1513.086
where: short stacking energy: -717.130
Base-Backbone interact. energy: -1.042
local terms energy: -866.072033
where:
bonds (distance) C4'-P energy: -170.799
bonds (distance) P-C4' energy: -174.970
flat angles C4'-P-C4' energy: -201.321
flat angles P-C4'-P energy: -121.818
tors. eta vs tors. theta energy: -197.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2230.469148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.469148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.469148 (E_RNA)
where:
Base-Base interactions energy: -1416.281
where: short stacking energy: -687.703
Base-Backbone interact. energy: -2.602
local terms energy: -811.585416
where:
bonds (distance) C4'-P energy: -158.280
bonds (distance) P-C4' energy: -151.263
flat angles C4'-P-C4' energy: -193.558
flat angles P-C4'-P energy: -131.978
tors. eta vs tors. theta energy: -176.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1972.674893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.674893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.674893 (E_RNA)
where:
Base-Base interactions energy: -1264.610
where: short stacking energy: -601.006
Base-Backbone interact. energy: 7.882
local terms energy: -715.946774
where:
bonds (distance) C4'-P energy: -162.313
bonds (distance) P-C4' energy: -147.086
flat angles C4'-P-C4' energy: -161.699
flat angles P-C4'-P energy: -106.643
tors. eta vs tors. theta energy: -138.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1720.295737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.295737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.295737 (E_RNA)
where:
Base-Base interactions energy: -1070.966
where: short stacking energy: -495.070
Base-Backbone interact. energy: 12.326
local terms energy: -661.655190
where:
bonds (distance) C4'-P energy: -123.772
bonds (distance) P-C4' energy: -173.094
flat angles C4'-P-C4' energy: -168.107
flat angles P-C4'-P energy: -84.976
tors. eta vs tors. theta energy: -111.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1269.061437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.061437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.061437 (E_RNA)
where:
Base-Base interactions energy: -679.676
where: short stacking energy: -347.488
Base-Backbone interact. energy: -3.008
local terms energy: -586.377646
where:
bonds (distance) C4'-P energy: -143.501
bonds (distance) P-C4' energy: -157.146
flat angles C4'-P-C4' energy: -151.170
flat angles P-C4'-P energy: -89.314
tors. eta vs tors. theta energy: -45.246
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: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1109.388036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.388036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.388036 (E_RNA)
where:
Base-Base interactions energy: -582.391
where: short stacking energy: -294.748
Base-Backbone interact. energy: -0.327
local terms energy: -526.670785
where:
bonds (distance) C4'-P energy: -115.633
bonds (distance) P-C4' energy: -139.231
flat angles C4'-P-C4' energy: -152.003
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -846.427264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.427264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.427264 (E_RNA)
where:
Base-Base interactions energy: -346.895
where: short stacking energy: -214.736
Base-Backbone interact. energy: -2.437
local terms energy: -497.095173
where:
bonds (distance) C4'-P energy: -166.847
bonds (distance) P-C4' energy: -152.441
flat angles C4'-P-C4' energy: -123.033
flat angles P-C4'-P energy: -67.660
tors. eta vs tors. theta energy: 12.886
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: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -732.474290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.474290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.474290 (E_RNA)
where:
Base-Base interactions energy: -283.214
where: short stacking energy: -219.738
Base-Backbone interact. energy: 10.619
local terms energy: -459.879331
where:
bonds (distance) C4'-P energy: -125.863
bonds (distance) P-C4' energy: -152.836
flat angles C4'-P-C4' energy: -121.718
flat angles P-C4'-P energy: -75.304
tors. eta vs tors. theta energy: 15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2792.034239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.034239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.034239 (E_RNA)
where:
Base-Base interactions energy: -1861.691
where: short stacking energy: -814.589
Base-Backbone interact. energy: -3.696
local terms energy: -926.647422
where:
bonds (distance) C4'-P energy: -174.977
bonds (distance) P-C4' energy: -183.761
flat angles C4'-P-C4' energy: -205.385
flat angles P-C4'-P energy: -135.597
tors. eta vs tors. theta energy: -226.927
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: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2402.011516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.011516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.011516 (E_RNA)
where:
Base-Base interactions energy: -1530.990
where: short stacking energy: -724.011
Base-Backbone interact. energy: -3.001
local terms energy: -868.020351
where:
bonds (distance) C4'-P energy: -191.471
bonds (distance) P-C4' energy: -173.741
flat angles C4'-P-C4' energy: -197.206
flat angles P-C4'-P energy: -120.709
tors. eta vs tors. theta energy: -184.894
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: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2447.803367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.803367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.803367 (E_RNA)
where:
Base-Base interactions energy: -1575.188
where: short stacking energy: -717.170
Base-Backbone interact. energy: -2.737
local terms energy: -869.879071
where:
bonds (distance) C4'-P energy: -162.258
bonds (distance) P-C4' energy: -184.617
flat angles C4'-P-C4' energy: -200.154
flat angles P-C4'-P energy: -119.163
tors. eta vs tors. theta energy: -203.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2149.884232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.884232 (E_RNA)
where:
Base-Base interactions energy: -1358.466
where: short stacking energy: -633.839
Base-Backbone interact. energy: -1.423
local terms energy: -789.995061
where:
bonds (distance) C4'-P energy: -165.482
bonds (distance) P-C4' energy: -160.417
flat angles C4'-P-C4' energy: -172.002
flat angles P-C4'-P energy: -125.107
tors. eta vs tors. theta energy: -166.987
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: 43
Temperature: 1.100000
Total energy: -2064.679905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.679905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.679905 (E_RNA)
where:
Base-Base interactions energy: -1312.177
where: short stacking energy: -620.196
Base-Backbone interact. energy: -0.913
local terms energy: -751.589959
where:
bonds (distance) C4'-P energy: -157.330
bonds (distance) P-C4' energy: -173.813
flat angles C4'-P-C4' energy: -169.293
flat angles P-C4'-P energy: -77.887
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: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1790.203677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.203677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.203677 (E_RNA)
where:
Base-Base interactions energy: -1083.259
where: short stacking energy: -529.224
Base-Backbone interact. energy: -0.576
local terms energy: -706.367766
where:
bonds (distance) C4'-P energy: -151.679
bonds (distance) P-C4' energy: -179.774
flat angles C4'-P-C4' energy: -162.738
flat angles P-C4'-P energy: -99.485
tors. eta vs tors. theta energy: -112.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1299.379226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.379226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.379226 (E_RNA)
where:
Base-Base interactions energy: -697.179
where: short stacking energy: -363.630
Base-Backbone interact. energy: -2.584
local terms energy: -599.616413
where:
bonds (distance) C4'-P energy: -167.090
bonds (distance) P-C4' energy: -150.852
flat angles C4'-P-C4' energy: -151.079
flat angles P-C4'-P energy: -74.708
tors. eta vs tors. theta energy: -55.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1135.107050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.107050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.107050 (E_RNA)
where:
Base-Base interactions energy: -592.921
where: short stacking energy: -340.129
Base-Backbone interact. energy: -3.280
local terms energy: -538.906153
where:
bonds (distance) C4'-P energy: -145.455
bonds (distance) P-C4' energy: -163.439
flat angles C4'-P-C4' energy: -131.218
flat angles P-C4'-P energy: -83.605
tors. eta vs tors. theta energy: -15.189
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -823.995933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.995933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.995933 (E_RNA)
where:
Base-Base interactions energy: -334.879
where: short stacking energy: -212.791
Base-Backbone interact. energy: 1.121
local terms energy: -490.238105
where:
bonds (distance) C4'-P energy: -137.016
bonds (distance) P-C4' energy: -144.189
flat angles C4'-P-C4' energy: -144.363
flat angles P-C4'-P energy: -95.955
tors. eta vs tors. theta energy: 31.285
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: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -692.687083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.687083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.687083 (E_RNA)
where:
Base-Base interactions energy: -260.118
where: short stacking energy: -192.091
Base-Backbone interact. energy: 4.475
local terms energy: -437.043952
where:
bonds (distance) C4'-P energy: -135.005
bonds (distance) P-C4' energy: -151.207
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -62.121
tors. eta vs tors. theta energy: 33.775
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: 44
Temperature: 0.900000
Total energy: -2807.216995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.216995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.216995 (E_RNA)
where:
Base-Base interactions energy: -1855.997
where: short stacking energy: -815.889
Base-Backbone interact. energy: -8.261
local terms energy: -942.959502
where:
bonds (distance) C4'-P energy: -188.328
bonds (distance) P-C4' energy: -179.093
flat angles C4'-P-C4' energy: -211.425
flat angles P-C4'-P energy: -128.488
tors. eta vs tors. theta energy: -235.626
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: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2381.227748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.227748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.227748 (E_RNA)
where:
Base-Base interactions energy: -1541.168
where: short stacking energy: -722.856
Base-Backbone interact. energy: -5.354
local terms energy: -834.705138
where:
bonds (distance) C4'-P energy: -177.097
bonds (distance) P-C4' energy: -161.544
flat angles C4'-P-C4' energy: -184.958
flat angles P-C4'-P energy: -109.477
tors. eta vs tors. theta energy: -201.629
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2478.091322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.091322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.091322 (E_RNA)
where:
Base-Base interactions energy: -1629.745
where: short stacking energy: -743.651
Base-Backbone interact. energy: -2.907
local terms energy: -845.439383
where:
bonds (distance) C4'-P energy: -162.514
bonds (distance) P-C4' energy: -169.492
flat angles C4'-P-C4' energy: -194.884
flat angles P-C4'-P energy: -127.935
tors. eta vs tors. theta energy: -190.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2194.095730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.095730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.095730 (E_RNA)
where:
Base-Base interactions energy: -1408.590
where: short stacking energy: -641.419
Base-Backbone interact. energy: -5.620
local terms energy: -779.885462
where:
bonds (distance) C4'-P energy: -167.210
bonds (distance) P-C4' energy: -166.329
flat angles C4'-P-C4' energy: -174.664
flat angles P-C4'-P energy: -107.301
tors. eta vs tors. theta energy: -164.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2060.595646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.595646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.595646 (E_RNA)
where:
Base-Base interactions energy: -1303.878
where: short stacking energy: -620.034
Base-Backbone interact. energy: 2.158
local terms energy: -758.875953
where:
bonds (distance) C4'-P energy: -166.264
bonds (distance) P-C4' energy: -175.714
flat angles C4'-P-C4' energy: -177.777
flat angles P-C4'-P energy: -88.551
tors. eta vs tors. theta energy: -150.570
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1757.236551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.236551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.236551 (E_RNA)
where:
Base-Base interactions energy: -1091.775
where: short stacking energy: -521.560
Base-Backbone interact. energy: 0.727
local terms energy: -666.188936
where:
bonds (distance) C4'-P energy: -142.127
bonds (distance) P-C4' energy: -160.011
flat angles C4'-P-C4' energy: -151.958
flat angles P-C4'-P energy: -89.065
tors. eta vs tors. theta energy: -123.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1236.879724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.879724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.879724 (E_RNA)
where:
Base-Base interactions energy: -642.361
where: short stacking energy: -373.286
Base-Backbone interact. energy: 0.213
local terms energy: -594.732562
where:
bonds (distance) C4'-P energy: -139.754
bonds (distance) P-C4' energy: -152.794
flat angles C4'-P-C4' energy: -159.054
flat angles P-C4'-P energy: -107.386
tors. eta vs tors. theta energy: -35.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1184.094408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.094408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.094408 (E_RNA)
where:
Base-Base interactions energy: -686.833
where: short stacking energy: -352.189
Base-Backbone interact. energy: 6.122
local terms energy: -503.382486
where:
bonds (distance) C4'-P energy: -109.204
bonds (distance) P-C4' energy: -139.490
flat angles C4'-P-C4' energy: -146.891
flat angles P-C4'-P energy: -67.764
tors. eta vs tors. theta energy: -40.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -830.428210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.428210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.428210 (E_RNA)
where:
Base-Base interactions energy: -343.933
where: short stacking energy: -243.006
Base-Backbone interact. energy: 10.040
local terms energy: -496.535315
where:
bonds (distance) C4'-P energy: -119.345
bonds (distance) P-C4' energy: -148.158
flat angles C4'-P-C4' energy: -135.900
flat angles P-C4'-P energy: -92.227
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -739.746454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.746454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.746454 (E_RNA)
where:
Base-Base interactions energy: -275.496
where: short stacking energy: -210.498
Base-Backbone interact. energy: -2.631
local terms energy: -461.619137
where:
bonds (distance) C4'-P energy: -135.043
bonds (distance) P-C4' energy: -138.206
flat angles C4'-P-C4' energy: -146.155
flat angles P-C4'-P energy: -65.934
tors. eta vs tors. theta energy: 23.719
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: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2797.469636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.469636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.469636 (E_RNA)
where:
Base-Base interactions energy: -1880.717
where: short stacking energy: -796.594
Base-Backbone interact. energy: -5.266
local terms energy: -911.486657
where:
bonds (distance) C4'-P energy: -191.273
bonds (distance) P-C4' energy: -193.889
flat angles C4'-P-C4' energy: -189.329
flat angles P-C4'-P energy: -114.701
tors. eta vs tors. theta energy: -222.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2576.118514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.118514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.118514 (E_RNA)
where:
Base-Base interactions energy: -1659.267
where: short stacking energy: -756.151
Base-Backbone interact. energy: -5.088
local terms energy: -911.763998
where:
bonds (distance) C4'-P energy: -166.431
bonds (distance) P-C4' energy: -197.438
flat angles C4'-P-C4' energy: -192.035
flat angles P-C4'-P energy: -129.469
tors. eta vs tors. theta energy: -226.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2306.963408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.963408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.963408 (E_RNA)
where:
Base-Base interactions energy: -1501.328
where: short stacking energy: -693.270
Base-Backbone interact. energy: -2.397
local terms energy: -803.238529
where:
bonds (distance) C4'-P energy: -159.480
bonds (distance) P-C4' energy: -170.050
flat angles C4'-P-C4' energy: -185.265
flat angles P-C4'-P energy: -112.498
tors. eta vs tors. theta energy: -175.945
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: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2188.220856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.220856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.220856 (E_RNA)
where:
Base-Base interactions energy: -1399.745
where: short stacking energy: -624.928
Base-Backbone interact. energy: -4.465
local terms energy: -784.011298
where:
bonds (distance) C4'-P energy: -167.759
bonds (distance) P-C4' energy: -165.774
flat angles C4'-P-C4' energy: -179.098
flat angles P-C4'-P energy: -99.301
tors. eta vs tors. theta energy: -172.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2024.778850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.778850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.778850 (E_RNA)
where:
Base-Base interactions energy: -1289.830
where: short stacking energy: -582.288
Base-Backbone interact. energy: -2.181
local terms energy: -732.767770
where:
bonds (distance) C4'-P energy: -150.333
bonds (distance) P-C4' energy: -175.648
flat angles C4'-P-C4' energy: -161.032
flat angles P-C4'-P energy: -113.944
tors. eta vs tors. theta energy: -131.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1711.566471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.566471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.566471 (E_RNA)
where:
Base-Base interactions energy: -1029.460
where: short stacking energy: -480.373
Base-Backbone interact. energy: -3.598
local terms energy: -678.507960
where:
bonds (distance) C4'-P energy: -155.529
bonds (distance) P-C4' energy: -164.841
flat angles C4'-P-C4' energy: -148.735
flat angles P-C4'-P energy: -116.834
tors. eta vs tors. theta energy: -92.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1217.889862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.889862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.889862 (E_RNA)
where:
Base-Base interactions energy: -619.374
where: short stacking energy: -334.578
Base-Backbone interact. energy: 0.759
local terms energy: -599.274584
where:
bonds (distance) C4'-P energy: -149.884
bonds (distance) P-C4' energy: -184.044
flat angles C4'-P-C4' energy: -148.818
flat angles P-C4'-P energy: -89.163
tors. eta vs tors. theta energy: -27.366
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: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1290.566867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.566867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.566867 (E_RNA)
where:
Base-Base interactions energy: -708.476
where: short stacking energy: -371.280
Base-Backbone interact. energy: 0.483
local terms energy: -582.573431
where:
bonds (distance) C4'-P energy: -145.211
bonds (distance) P-C4' energy: -156.880
flat angles C4'-P-C4' energy: -153.690
flat angles P-C4'-P energy: -100.783
tors. eta vs tors. theta energy: -26.009
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: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -838.994929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.994929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.994929 (E_RNA)
where:
Base-Base interactions energy: -342.916
where: short stacking energy: -230.299
Base-Backbone interact. energy: 3.610
local terms energy: -499.689001
where:
bonds (distance) C4'-P energy: -146.865
bonds (distance) P-C4' energy: -140.987
flat angles C4'-P-C4' energy: -146.055
flat angles P-C4'-P energy: -84.056
tors. eta vs tors. theta energy: 18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -808.390708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.390708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.390708 (E_RNA)
where:
Base-Base interactions energy: -390.551
where: short stacking energy: -212.783
Base-Backbone interact. energy: 2.373
local terms energy: -420.212503
where:
bonds (distance) C4'-P energy: -149.901
bonds (distance) P-C4' energy: -141.778
flat angles C4'-P-C4' energy: -101.679
flat angles P-C4'-P energy: -69.158
tors. eta vs tors. theta energy: 42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2812.892370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.892370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.892370 (E_RNA)
where:
Base-Base interactions energy: -1913.930
where: short stacking energy: -824.827
Base-Backbone interact. energy: -6.269
local terms energy: -892.692958
where:
bonds (distance) C4'-P energy: -182.520
bonds (distance) P-C4' energy: -169.082
flat angles C4'-P-C4' energy: -194.931
flat angles P-C4'-P energy: -123.994
tors. eta vs tors. theta energy: -222.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2635.394323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.394323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.394323 (E_RNA)
where:
Base-Base interactions energy: -1709.141
where: short stacking energy: -793.331
Base-Backbone interact. energy: -2.985
local terms energy: -923.267880
where:
bonds (distance) C4'-P energy: -179.858
bonds (distance) P-C4' energy: -189.584
flat angles C4'-P-C4' energy: -194.279
flat angles P-C4'-P energy: -132.965
tors. eta vs tors. theta energy: -226.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2269.836265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.836265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.836265 (E_RNA)
where:
Base-Base interactions energy: -1458.495
where: short stacking energy: -669.171
Base-Backbone interact. energy: -4.149
local terms energy: -807.192532
where:
bonds (distance) C4'-P energy: -163.800
bonds (distance) P-C4' energy: -156.422
flat angles C4'-P-C4' energy: -191.243
flat angles P-C4'-P energy: -119.703
tors. eta vs tors. theta energy: -176.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2250.189469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.189469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.189469 (E_RNA)
where:
Base-Base interactions energy: -1474.198
where: short stacking energy: -647.889
Base-Backbone interact. energy: -2.604
local terms energy: -773.387642
where:
bonds (distance) C4'-P energy: -177.384
bonds (distance) P-C4' energy: -163.994
flat angles C4'-P-C4' energy: -173.980
flat angles P-C4'-P energy: -101.077
tors. eta vs tors. theta energy: -156.953
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: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2071.006821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.006821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.006821 (E_RNA)
where:
Base-Base interactions energy: -1292.203
where: short stacking energy: -601.360
Base-Backbone interact. energy: -0.241
local terms energy: -778.563293
where:
bonds (distance) C4'-P energy: -157.748
bonds (distance) P-C4' energy: -167.458
flat angles C4'-P-C4' energy: -166.645
flat angles P-C4'-P energy: -128.493
tors. eta vs tors. theta energy: -158.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1736.913501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.913501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.913501 (E_RNA)
where:
Base-Base interactions energy: -1044.101
where: short stacking energy: -528.197
Base-Backbone interact. energy: 0.805
local terms energy: -693.617366
where:
bonds (distance) C4'-P energy: -167.323
bonds (distance) P-C4' energy: -158.600
flat angles C4'-P-C4' energy: -181.818
flat angles P-C4'-P energy: -79.285
tors. eta vs tors. theta energy: -106.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1273.312905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.312905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.312905 (E_RNA)
where:
Base-Base interactions energy: -701.907
where: short stacking energy: -397.748
Base-Backbone interact. energy: 5.409
local terms energy: -576.815299
where:
bonds (distance) C4'-P energy: -158.317
bonds (distance) P-C4' energy: -141.339
flat angles C4'-P-C4' energy: -142.915
flat angles P-C4'-P energy: -89.821
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1157.245535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.245535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.245535 (E_RNA)
where:
Base-Base interactions energy: -608.772
where: short stacking energy: -321.247
Base-Backbone interact. energy: 2.375
local terms energy: -550.848813
where:
bonds (distance) C4'-P energy: -139.036
bonds (distance) P-C4' energy: -160.135
flat angles C4'-P-C4' energy: -143.608
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -890.643160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.643160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.643160 (E_RNA)
where:
Base-Base interactions energy: -392.450
where: short stacking energy: -249.051
Base-Backbone interact. energy: 3.316
local terms energy: -501.509390
where:
bonds (distance) C4'-P energy: -140.173
bonds (distance) P-C4' energy: -151.017
flat angles C4'-P-C4' energy: -142.073
flat angles P-C4'-P energy: -79.920
tors. eta vs tors. theta energy: 11.673
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: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -759.523594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.523594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.523594 (E_RNA)
where:
Base-Base interactions energy: -340.946
where: short stacking energy: -241.586
Base-Backbone interact. energy: 2.229
local terms energy: -420.807139
where:
bonds (distance) C4'-P energy: -123.856
bonds (distance) P-C4' energy: -157.514
flat angles C4'-P-C4' energy: -124.999
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: 22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2822.921309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.921309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.921309 (E_RNA)
where:
Base-Base interactions energy: -1925.306
where: short stacking energy: -813.680
Base-Backbone interact. energy: -5.876
local terms energy: -891.738965
where:
bonds (distance) C4'-P energy: -177.188
bonds (distance) P-C4' energy: -169.536
flat angles C4'-P-C4' energy: -192.427
flat angles P-C4'-P energy: -130.393
tors. eta vs tors. theta energy: -222.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2608.003448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.003448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.003448 (E_RNA)
where:
Base-Base interactions energy: -1680.888
where: short stacking energy: -756.497
Base-Backbone interact. energy: 1.010
local terms energy: -928.126166
where:
bonds (distance) C4'-P energy: -176.213
bonds (distance) P-C4' energy: -184.483
flat angles C4'-P-C4' energy: -203.035
flat angles P-C4'-P energy: -140.508
tors. eta vs tors. theta energy: -223.886
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: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2297.431289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.431289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.431289 (E_RNA)
where:
Base-Base interactions energy: -1487.685
where: short stacking energy: -663.998
Base-Backbone interact. energy: -3.478
local terms energy: -806.268735
where:
bonds (distance) C4'-P energy: -145.489
bonds (distance) P-C4' energy: -187.082
flat angles C4'-P-C4' energy: -186.655
flat angles P-C4'-P energy: -126.464
tors. eta vs tors. theta energy: -160.578
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: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2284.200042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.200042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.200042 (E_RNA)
where:
Base-Base interactions energy: -1489.603
where: short stacking energy: -698.958
Base-Backbone interact. energy: -1.085
local terms energy: -793.511693
where:
bonds (distance) C4'-P energy: -139.684
bonds (distance) P-C4' energy: -166.424
flat angles C4'-P-C4' energy: -179.573
flat angles P-C4'-P energy: -118.453
tors. eta vs tors. theta energy: -189.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2055.237563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.237563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.237563 (E_RNA)
where:
Base-Base interactions energy: -1309.657
where: short stacking energy: -610.891
Base-Backbone interact. energy: -6.825
local terms energy: -738.755566
where:
bonds (distance) C4'-P energy: -155.341
bonds (distance) P-C4' energy: -160.320
flat angles C4'-P-C4' energy: -166.425
flat angles P-C4'-P energy: -101.824
tors. eta vs tors. theta energy: -154.845
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: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1695.009791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.009791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.009791 (E_RNA)
where:
Base-Base interactions energy: -1045.122
where: short stacking energy: -506.749
Base-Backbone interact. energy: -0.795
local terms energy: -649.093246
where:
bonds (distance) C4'-P energy: -158.001
bonds (distance) P-C4' energy: -146.686
flat angles C4'-P-C4' energy: -152.946
flat angles P-C4'-P energy: -99.687
tors. eta vs tors. theta energy: -91.774
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: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1376.540689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.540689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.540689 (E_RNA)
where:
Base-Base interactions energy: -776.445
where: short stacking energy: -401.230
Base-Backbone interact. energy: -1.623
local terms energy: -598.472646
where:
bonds (distance) C4'-P energy: -162.497
bonds (distance) P-C4' energy: -154.233
flat angles C4'-P-C4' energy: -153.225
flat angles P-C4'-P energy: -74.792
tors. eta vs tors. theta energy: -53.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1139.345707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.345707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.345707 (E_RNA)
where:
Base-Base interactions energy: -574.768
where: short stacking energy: -327.735
Base-Backbone interact. energy: -4.647
local terms energy: -559.930576
where:
bonds (distance) C4'-P energy: -155.459
bonds (distance) P-C4' energy: -137.228
flat angles C4'-P-C4' energy: -138.871
flat angles P-C4'-P energy: -100.266
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -911.430784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.430784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.430784 (E_RNA)
where:
Base-Base interactions energy: -413.501
where: short stacking energy: -246.438
Base-Backbone interact. energy: 5.542
local terms energy: -503.471343
where:
bonds (distance) C4'-P energy: -121.010
bonds (distance) P-C4' energy: -169.046
flat angles C4'-P-C4' energy: -136.909
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: -2.741
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: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -833.045283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.045283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.045283 (E_RNA)
where:
Base-Base interactions energy: -389.827
where: short stacking energy: -237.871
Base-Backbone interact. energy: -0.199
local terms energy: -443.019788
where:
bonds (distance) C4'-P energy: -145.689
bonds (distance) P-C4' energy: -148.574
flat angles C4'-P-C4' energy: -111.550
flat angles P-C4'-P energy: -55.054
tors. eta vs tors. theta energy: 17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2804.141534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.141534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.141534 (E_RNA)
where:
Base-Base interactions energy: -1891.253
where: short stacking energy: -796.364
Base-Backbone interact. energy: 0.794
local terms energy: -913.682180
where:
bonds (distance) C4'-P energy: -191.168
bonds (distance) P-C4' energy: -190.353
flat angles C4'-P-C4' energy: -193.599
flat angles P-C4'-P energy: -123.707
tors. eta vs tors. theta energy: -214.855
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2616.052805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.052805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.052805 (E_RNA)
where:
Base-Base interactions energy: -1729.062
where: short stacking energy: -779.144
Base-Backbone interact. energy: -3.812
local terms energy: -883.178682
where:
bonds (distance) C4'-P energy: -159.648
bonds (distance) P-C4' energy: -161.617
flat angles C4'-P-C4' energy: -206.905
flat angles P-C4'-P energy: -134.026
tors. eta vs tors. theta energy: -220.982
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: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2311.618809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.618809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.618809 (E_RNA)
where:
Base-Base interactions energy: -1481.724
where: short stacking energy: -681.706
Base-Backbone interact. energy: -1.202
local terms energy: -828.693314
where:
bonds (distance) C4'-P energy: -148.033
bonds (distance) P-C4' energy: -192.583
flat angles C4'-P-C4' energy: -203.546
flat angles P-C4'-P energy: -108.410
tors. eta vs tors. theta energy: -176.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2297.911345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.911345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.911345 (E_RNA)
where:
Base-Base interactions energy: -1491.682
where: short stacking energy: -641.882
Base-Backbone interact. energy: 2.478
local terms energy: -808.707365
where:
bonds (distance) C4'-P energy: -154.315
bonds (distance) P-C4' energy: -162.902
flat angles C4'-P-C4' energy: -188.235
flat angles P-C4'-P energy: -124.528
tors. eta vs tors. theta energy: -178.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2044.291068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.291068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.291068 (E_RNA)
where:
Base-Base interactions energy: -1284.780
where: short stacking energy: -634.657
Base-Backbone interact. energy: -1.644
local terms energy: -757.866695
where:
bonds (distance) C4'-P energy: -170.549
bonds (distance) P-C4' energy: -166.222
flat angles C4'-P-C4' energy: -141.993
flat angles P-C4'-P energy: -108.537
tors. eta vs tors. theta energy: -170.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1717.116353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.116353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.116353 (E_RNA)
where:
Base-Base interactions energy: -1056.323
where: short stacking energy: -509.271
Base-Backbone interact. energy: -0.633
local terms energy: -660.160448
where:
bonds (distance) C4'-P energy: -126.023
bonds (distance) P-C4' energy: -147.102
flat angles C4'-P-C4' energy: -167.312
flat angles P-C4'-P energy: -114.013
tors. eta vs tors. theta energy: -105.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1375.125063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.125063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.125063 (E_RNA)
where:
Base-Base interactions energy: -792.517
where: short stacking energy: -437.498
Base-Backbone interact. energy: -2.261
local terms energy: -580.347244
where:
bonds (distance) C4'-P energy: -127.825
bonds (distance) P-C4' energy: -158.758
flat angles C4'-P-C4' energy: -148.359
flat angles P-C4'-P energy: -95.053
tors. eta vs tors. theta energy: -50.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1072.589810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.589810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.589810 (E_RNA)
where:
Base-Base interactions energy: -532.972
where: short stacking energy: -316.292
Base-Backbone interact. energy: -2.268
local terms energy: -537.349742
where:
bonds (distance) C4'-P energy: -139.831
bonds (distance) P-C4' energy: -164.308
flat angles C4'-P-C4' energy: -126.511
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -868.011884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.011884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.011884 (E_RNA)
where:
Base-Base interactions energy: -384.310
where: short stacking energy: -254.909
Base-Backbone interact. energy: 7.746
local terms energy: -491.447656
where:
bonds (distance) C4'-P energy: -140.463
bonds (distance) P-C4' energy: -146.511
flat angles C4'-P-C4' energy: -124.030
flat angles P-C4'-P energy: -83.179
tors. eta vs tors. theta energy: 2.735
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: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -765.963710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.963710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.963710 (E_RNA)
where:
Base-Base interactions energy: -326.335
where: short stacking energy: -213.301
Base-Backbone interact. energy: 0.272
local terms energy: -439.900359
where:
bonds (distance) C4'-P energy: -133.626
bonds (distance) P-C4' energy: -145.330
flat angles C4'-P-C4' energy: -126.900
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: 16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2805.733889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.733889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.733889 (E_RNA)
where:
Base-Base interactions energy: -1871.773
where: short stacking energy: -775.889
Base-Backbone interact. energy: -3.154
local terms energy: -930.806547
where:
bonds (distance) C4'-P energy: -192.186
bonds (distance) P-C4' energy: -179.704
flat angles C4'-P-C4' energy: -195.077
flat angles P-C4'-P energy: -130.692
tors. eta vs tors. theta energy: -233.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2603.960377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.960377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.960377 (E_RNA)
where:
Base-Base interactions energy: -1752.230
where: short stacking energy: -763.889
Base-Backbone interact. energy: -3.235
local terms energy: -848.495882
where:
bonds (distance) C4'-P energy: -171.622
bonds (distance) P-C4' energy: -165.321
flat angles C4'-P-C4' energy: -193.139
flat angles P-C4'-P energy: -107.033
tors. eta vs tors. theta energy: -211.381
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: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2274.083943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.083943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.083943 (E_RNA)
where:
Base-Base interactions energy: -1467.168
where: short stacking energy: -657.752
Base-Backbone interact. energy: -5.727
local terms energy: -801.189106
where:
bonds (distance) C4'-P energy: -161.663
bonds (distance) P-C4' energy: -163.088
flat angles C4'-P-C4' energy: -189.460
flat angles P-C4'-P energy: -122.231
tors. eta vs tors. theta energy: -164.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2300.039711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.039711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.039711 (E_RNA)
where:
Base-Base interactions energy: -1504.519
where: short stacking energy: -668.470
Base-Backbone interact. energy: 0.705
local terms energy: -796.225353
where:
bonds (distance) C4'-P energy: -170.955
bonds (distance) P-C4' energy: -174.067
flat angles C4'-P-C4' energy: -167.548
flat angles P-C4'-P energy: -116.317
tors. eta vs tors. theta energy: -167.338
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2029.589214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.589214 (E_RNA)
where:
Base-Base interactions energy: -1274.216
where: short stacking energy: -622.485
Base-Backbone interact. energy: 0.446
local terms energy: -755.819511
where:
bonds (distance) C4'-P energy: -162.851
bonds (distance) P-C4' energy: -153.467
flat angles C4'-P-C4' energy: -158.490
flat angles P-C4'-P energy: -111.265
tors. eta vs tors. theta energy: -169.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1681.284990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.284990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.284990 (E_RNA)
where:
Base-Base interactions energy: -993.371
where: short stacking energy: -525.017
Base-Backbone interact. energy: 4.118
local terms energy: -692.031534
where:
bonds (distance) C4'-P energy: -170.661
bonds (distance) P-C4' energy: -155.234
flat angles C4'-P-C4' energy: -164.417
flat angles P-C4'-P energy: -89.175
tors. eta vs tors. theta energy: -112.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1380.670747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.670747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.670747 (E_RNA)
where:
Base-Base interactions energy: -762.796
where: short stacking energy: -399.088
Base-Backbone interact. energy: 1.113
local terms energy: -618.987339
where:
bonds (distance) C4'-P energy: -146.671
bonds (distance) P-C4' energy: -148.904
flat angles C4'-P-C4' energy: -153.547
flat angles P-C4'-P energy: -111.500
tors. eta vs tors. theta energy: -58.365
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1160.908317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.908317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.908317 (E_RNA)
where:
Base-Base interactions energy: -617.782
where: short stacking energy: -340.126
Base-Backbone interact. energy: 0.455
local terms energy: -543.580946
where:
bonds (distance) C4'-P energy: -152.150
bonds (distance) P-C4' energy: -150.975
flat angles C4'-P-C4' energy: -134.303
flat angles P-C4'-P energy: -85.434
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -876.479671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.479671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.479671 (E_RNA)
where:
Base-Base interactions energy: -381.810
where: short stacking energy: -224.715
Base-Backbone interact. energy: -2.266
local terms energy: -492.403142
where:
bonds (distance) C4'-P energy: -155.395
bonds (distance) P-C4' energy: -155.306
flat angles C4'-P-C4' energy: -137.680
flat angles P-C4'-P energy: -77.138
tors. eta vs tors. theta energy: 33.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -736.056067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.056067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.056067 (E_RNA)
where:
Base-Base interactions energy: -261.188
where: short stacking energy: -207.215
Base-Backbone interact. energy: -4.095
local terms energy: -470.773471
where:
bonds (distance) C4'-P energy: -141.180
bonds (distance) P-C4' energy: -164.956
flat angles C4'-P-C4' energy: -121.273
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: 15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2860.640075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.640075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.640075 (E_RNA)
where:
Base-Base interactions energy: -1915.297
where: short stacking energy: -860.508
Base-Backbone interact. energy: -0.891
local terms energy: -944.451861
where:
bonds (distance) C4'-P energy: -166.775
bonds (distance) P-C4' energy: -195.538
flat angles C4'-P-C4' energy: -198.261
flat angles P-C4'-P energy: -135.530
tors. eta vs tors. theta energy: -248.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2651.811814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.811814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.811814 (E_RNA)
where:
Base-Base interactions energy: -1771.698
where: short stacking energy: -735.846
Base-Backbone interact. energy: -2.663
local terms energy: -877.450761
where:
bonds (distance) C4'-P energy: -169.573
bonds (distance) P-C4' energy: -189.295
flat angles C4'-P-C4' energy: -188.436
flat angles P-C4'-P energy: -133.134
tors. eta vs tors. theta energy: -197.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2435.599353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.599353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.599353 (E_RNA)
where:
Base-Base interactions energy: -1607.584
where: short stacking energy: -739.466
Base-Backbone interact. energy: 0.670
local terms energy: -828.686008
where:
bonds (distance) C4'-P energy: -155.245
bonds (distance) P-C4' energy: -166.353
flat angles C4'-P-C4' energy: -188.662
flat angles P-C4'-P energy: -128.788
tors. eta vs tors. theta energy: -189.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2223.284909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.284909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.284909 (E_RNA)
where:
Base-Base interactions energy: -1450.761
where: short stacking energy: -659.242
Base-Backbone interact. energy: -3.414
local terms energy: -769.110394
where:
bonds (distance) C4'-P energy: -167.461
bonds (distance) P-C4' energy: -158.918
flat angles C4'-P-C4' energy: -175.463
flat angles P-C4'-P energy: -110.885
tors. eta vs tors. theta energy: -156.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2017.946434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.946434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.946434 (E_RNA)
where:
Base-Base interactions energy: -1281.958
where: short stacking energy: -607.295
Base-Backbone interact. energy: -2.463
local terms energy: -733.525679
where:
bonds (distance) C4'-P energy: -146.921
bonds (distance) P-C4' energy: -171.115
flat angles C4'-P-C4' energy: -160.944
flat angles P-C4'-P energy: -105.472
tors. eta vs tors. theta energy: -149.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1656.214707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.214707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.214707 (E_RNA)
where:
Base-Base interactions energy: -999.472
where: short stacking energy: -516.721
Base-Backbone interact. energy: -3.283
local terms energy: -653.459705
where:
bonds (distance) C4'-P energy: -150.648
bonds (distance) P-C4' energy: -155.338
flat angles C4'-P-C4' energy: -147.960
flat angles P-C4'-P energy: -97.698
tors. eta vs tors. theta energy: -101.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1374.560290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.560290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.560290 (E_RNA)
where:
Base-Base interactions energy: -756.219
where: short stacking energy: -415.951
Base-Backbone interact. energy: -1.821
local terms energy: -616.520814
where:
bonds (distance) C4'-P energy: -159.300
bonds (distance) P-C4' energy: -141.063
flat angles C4'-P-C4' energy: -159.881
flat angles P-C4'-P energy: -98.539
tors. eta vs tors. theta energy: -57.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1152.169579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.169579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.169579 (E_RNA)
where:
Base-Base interactions energy: -609.212
where: short stacking energy: -322.921
Base-Backbone interact. energy: -1.580
local terms energy: -541.377228
where:
bonds (distance) C4'-P energy: -147.490
bonds (distance) P-C4' energy: -150.524
flat angles C4'-P-C4' energy: -132.744
flat angles P-C4'-P energy: -93.165
tors. eta vs tors. theta energy: -17.454
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: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -874.022425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.022425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.022425 (E_RNA)
where:
Base-Base interactions energy: -420.070
where: short stacking energy: -257.737
Base-Backbone interact. energy: 1.641
local terms energy: -455.593275
where:
bonds (distance) C4'-P energy: -131.811
bonds (distance) P-C4' energy: -158.383
flat angles C4'-P-C4' energy: -119.180
flat angles P-C4'-P energy: -59.919
tors. eta vs tors. theta energy: 13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -788.296160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.296160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.296160 (E_RNA)
where:
Base-Base interactions energy: -326.911
where: short stacking energy: -225.799
Base-Backbone interact. energy: 2.625
local terms energy: -464.010365
where:
bonds (distance) C4'-P energy: -148.318
bonds (distance) P-C4' energy: -149.325
flat angles C4'-P-C4' energy: -124.109
flat angles P-C4'-P energy: -60.505
tors. eta vs tors. theta energy: 18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2843.237450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.237450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.237450 (E_RNA)
where:
Base-Base interactions energy: -1912.319
where: short stacking energy: -851.714
Base-Backbone interact. energy: 0.049
local terms energy: -930.967430
where:
bonds (distance) C4'-P energy: -179.294
bonds (distance) P-C4' energy: -186.913
flat angles C4'-P-C4' energy: -192.943
flat angles P-C4'-P energy: -125.145
tors. eta vs tors. theta energy: -246.672
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: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2661.450813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.450813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.450813 (E_RNA)
where:
Base-Base interactions energy: -1732.978
where: short stacking energy: -754.884
Base-Backbone interact. energy: -2.257
local terms energy: -926.215993
where:
bonds (distance) C4'-P energy: -180.722
bonds (distance) P-C4' energy: -197.292
flat angles C4'-P-C4' energy: -187.237
flat angles P-C4'-P energy: -136.581
tors. eta vs tors. theta energy: -224.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2458.671750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.671750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.671750 (E_RNA)
where:
Base-Base interactions energy: -1609.798
where: short stacking energy: -696.912
Base-Backbone interact. energy: -5.107
local terms energy: -843.767523
where:
bonds (distance) C4'-P energy: -168.963
bonds (distance) P-C4' energy: -163.836
flat angles C4'-P-C4' energy: -190.733
flat angles P-C4'-P energy: -136.537
tors. eta vs tors. theta energy: -183.698
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: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2202.007886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.007886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.007886 (E_RNA)
where:
Base-Base interactions energy: -1383.087
where: short stacking energy: -621.068
Base-Backbone interact. energy: -1.088
local terms energy: -817.833178
where:
bonds (distance) C4'-P energy: -171.887
bonds (distance) P-C4' energy: -168.964
flat angles C4'-P-C4' energy: -194.539
flat angles P-C4'-P energy: -116.039
tors. eta vs tors. theta energy: -166.404
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: 51
Temperature: 1.100000
Total energy: -2022.501701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.501701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.501701 (E_RNA)
where:
Base-Base interactions energy: -1282.420
where: short stacking energy: -596.520
Base-Backbone interact. energy: -4.882
local terms energy: -735.200345
where:
bonds (distance) C4'-P energy: -158.109
bonds (distance) P-C4' energy: -172.528
flat angles C4'-P-C4' energy: -156.106
flat angles P-C4'-P energy: -104.971
tors. eta vs tors. theta energy: -143.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1690.098792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.098792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.098792 (E_RNA)
where:
Base-Base interactions energy: -972.092
where: short stacking energy: -498.131
Base-Backbone interact. energy: 2.355
local terms energy: -720.361684
where:
bonds (distance) C4'-P energy: -172.645
bonds (distance) P-C4' energy: -162.729
flat angles C4'-P-C4' energy: -163.177
flat angles P-C4'-P energy: -119.143
tors. eta vs tors. theta energy: -102.667
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: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1420.497749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.497749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.497749 (E_RNA)
where:
Base-Base interactions energy: -815.995
where: short stacking energy: -407.365
Base-Backbone interact. energy: -0.686
local terms energy: -603.816878
where:
bonds (distance) C4'-P energy: -143.424
bonds (distance) P-C4' energy: -146.399
flat angles C4'-P-C4' energy: -153.872
flat angles P-C4'-P energy: -93.512
tors. eta vs tors. theta energy: -66.611
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: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1165.625499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.625499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.625499 (E_RNA)
where:
Base-Base interactions energy: -641.218
where: short stacking energy: -353.154
Base-Backbone interact. energy: -3.516
local terms energy: -520.891281
where:
bonds (distance) C4'-P energy: -153.338
bonds (distance) P-C4' energy: -132.765
flat angles C4'-P-C4' energy: -147.552
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -38.200
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: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -968.169087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.169087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.169087 (E_RNA)
where:
Base-Base interactions energy: -449.373
where: short stacking energy: -296.973
Base-Backbone interact. energy: -2.071
local terms energy: -516.725295
where:
bonds (distance) C4'-P energy: -150.418
bonds (distance) P-C4' energy: -167.106
flat angles C4'-P-C4' energy: -127.795
flat angles P-C4'-P energy: -61.788
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -739.060976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.060976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.060976 (E_RNA)
where:
Base-Base interactions energy: -300.471
where: short stacking energy: -216.124
Base-Backbone interact. energy: 3.232
local terms energy: -441.821642
where:
bonds (distance) C4'-P energy: -132.042
bonds (distance) P-C4' energy: -158.656
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: 49.651
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: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2797.313340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.313340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.313340 (E_RNA)
where:
Base-Base interactions energy: -1867.507
where: short stacking energy: -797.130
Base-Backbone interact. energy: -3.427
local terms energy: -926.379837
where:
bonds (distance) C4'-P energy: -180.744
bonds (distance) P-C4' energy: -189.730
flat angles C4'-P-C4' energy: -207.624
flat angles P-C4'-P energy: -119.566
tors. eta vs tors. theta energy: -228.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2663.998898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.998898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.998898 (E_RNA)
where:
Base-Base interactions energy: -1764.045
where: short stacking energy: -761.786
Base-Backbone interact. energy: -2.263
local terms energy: -897.690875
where:
bonds (distance) C4'-P energy: -178.245
bonds (distance) P-C4' energy: -185.828
flat angles C4'-P-C4' energy: -198.561
flat angles P-C4'-P energy: -122.527
tors. eta vs tors. theta energy: -212.530
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: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2489.605861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.605861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.605861 (E_RNA)
where:
Base-Base interactions energy: -1651.815
where: short stacking energy: -733.560
Base-Backbone interact. energy: -4.103
local terms energy: -833.688228
where:
bonds (distance) C4'-P energy: -169.002
bonds (distance) P-C4' energy: -170.547
flat angles C4'-P-C4' energy: -190.880
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -207.327
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: 52
Temperature: 1.050000
Total energy: -2179.403800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.403800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.403800 (E_RNA)
where:
Base-Base interactions energy: -1402.781
where: short stacking energy: -649.923
Base-Backbone interact. energy: 2.641
local terms energy: -779.263531
where:
bonds (distance) C4'-P energy: -137.703
bonds (distance) P-C4' energy: -176.432
flat angles C4'-P-C4' energy: -188.619
flat angles P-C4'-P energy: -107.461
tors. eta vs tors. theta energy: -169.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2078.999548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.999548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.999548 (E_RNA)
where:
Base-Base interactions energy: -1332.558
where: short stacking energy: -593.941
Base-Backbone interact. energy: -0.942
local terms energy: -745.499255
where:
bonds (distance) C4'-P energy: -161.285
bonds (distance) P-C4' energy: -171.287
flat angles C4'-P-C4' energy: -162.835
flat angles P-C4'-P energy: -102.491
tors. eta vs tors. theta energy: -147.602
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: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1767.850287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.850287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.850287 (E_RNA)
where:
Base-Base interactions energy: -1044.379
where: short stacking energy: -524.917
Base-Backbone interact. energy: -1.476
local terms energy: -721.994943
where:
bonds (distance) C4'-P energy: -154.281
bonds (distance) P-C4' energy: -162.128
flat angles C4'-P-C4' energy: -165.790
flat angles P-C4'-P energy: -101.915
tors. eta vs tors. theta energy: -137.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1471.521546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.521546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.521546 (E_RNA)
where:
Base-Base interactions energy: -856.096
where: short stacking energy: -415.394
Base-Backbone interact. energy: 3.358
local terms energy: -618.783336
where:
bonds (distance) C4'-P energy: -143.381
bonds (distance) P-C4' energy: -154.943
flat angles C4'-P-C4' energy: -152.795
flat angles P-C4'-P energy: -100.133
tors. eta vs tors. theta energy: -67.532
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: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1018.571153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.571153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.571153 (E_RNA)
where:
Base-Base interactions energy: -473.100
where: short stacking energy: -300.314
Base-Backbone interact. energy: 2.367
local terms energy: -547.837763
where:
bonds (distance) C4'-P energy: -148.817
bonds (distance) P-C4' energy: -168.259
flat angles C4'-P-C4' energy: -127.317
flat angles P-C4'-P energy: -88.538
tors. eta vs tors. theta energy: -14.907
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: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -881.833962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.833962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.833962 (E_RNA)
where:
Base-Base interactions energy: -407.395
where: short stacking energy: -267.374
Base-Backbone interact. energy: 2.390
local terms energy: -476.829312
where:
bonds (distance) C4'-P energy: -170.133
bonds (distance) P-C4' energy: -149.888
flat angles C4'-P-C4' energy: -88.631
flat angles P-C4'-P energy: -86.335
tors. eta vs tors. theta energy: 18.158
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: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -728.120981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.120981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.120981 (E_RNA)
where:
Base-Base interactions energy: -326.007
where: short stacking energy: -170.898
Base-Backbone interact. energy: -4.391
local terms energy: -397.723298
where:
bonds (distance) C4'-P energy: -109.026
bonds (distance) P-C4' energy: -147.231
flat angles C4'-P-C4' energy: -120.427
flat angles P-C4'-P energy: -56.256
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: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2832.292075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.292075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.292075 (E_RNA)
where:
Base-Base interactions energy: -1922.155
where: short stacking energy: -842.638
Base-Backbone interact. energy: -0.134
local terms energy: -910.002355
where:
bonds (distance) C4'-P energy: -165.927
bonds (distance) P-C4' energy: -174.458
flat angles C4'-P-C4' energy: -207.500
flat angles P-C4'-P energy: -118.869
tors. eta vs tors. theta energy: -243.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2654.840919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.840919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.840919 (E_RNA)
where:
Base-Base interactions energy: -1812.252
where: short stacking energy: -777.685
Base-Backbone interact. energy: 1.552
local terms energy: -844.141441
where:
bonds (distance) C4'-P energy: -172.356
bonds (distance) P-C4' energy: -162.867
flat angles C4'-P-C4' energy: -171.032
flat angles P-C4'-P energy: -116.864
tors. eta vs tors. theta energy: -221.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2491.180857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.180857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.180857 (E_RNA)
where:
Base-Base interactions energy: -1666.058
where: short stacking energy: -749.326
Base-Backbone interact. energy: -5.103
local terms energy: -820.020089
where:
bonds (distance) C4'-P energy: -145.664
bonds (distance) P-C4' energy: -154.677
flat angles C4'-P-C4' energy: -186.304
flat angles P-C4'-P energy: -117.161
tors. eta vs tors. theta energy: -216.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2119.151870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.151870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.151870 (E_RNA)
where:
Base-Base interactions energy: -1348.720
where: short stacking energy: -636.074
Base-Backbone interact. energy: -1.760
local terms energy: -768.672001
where:
bonds (distance) C4'-P energy: -158.730
bonds (distance) P-C4' energy: -168.626
flat angles C4'-P-C4' energy: -175.953
flat angles P-C4'-P energy: -111.456
tors. eta vs tors. theta energy: -153.907
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2086.247292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.247292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.247292 (E_RNA)
where:
Base-Base interactions energy: -1308.935
where: short stacking energy: -642.723
Base-Backbone interact. energy: -3.908
local terms energy: -773.404384
where:
bonds (distance) C4'-P energy: -151.894
bonds (distance) P-C4' energy: -159.501
flat angles C4'-P-C4' energy: -177.819
flat angles P-C4'-P energy: -108.667
tors. eta vs tors. theta energy: -175.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1689.792655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.792655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.792655 (E_RNA)
where:
Base-Base interactions energy: -1044.549
where: short stacking energy: -527.661
Base-Backbone interact. energy: 0.236
local terms energy: -645.479943
where:
bonds (distance) C4'-P energy: -128.096
bonds (distance) P-C4' energy: -163.665
flat angles C4'-P-C4' energy: -164.097
flat angles P-C4'-P energy: -87.492
tors. eta vs tors. theta energy: -102.131
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: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1496.666701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.666701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.666701 (E_RNA)
where:
Base-Base interactions energy: -868.835
where: short stacking energy: -446.770
Base-Backbone interact. energy: 0.996
local terms energy: -628.827626
where:
bonds (distance) C4'-P energy: -144.082
bonds (distance) P-C4' energy: -152.296
flat angles C4'-P-C4' energy: -150.816
flat angles P-C4'-P energy: -86.718
tors. eta vs tors. theta energy: -94.915
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: 53
Temperature: 1.250000
Total energy: -994.359444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.359444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.359444 (E_RNA)
where:
Base-Base interactions energy: -458.527
where: short stacking energy: -257.955
Base-Backbone interact. energy: 8.858
local terms energy: -544.690896
where:
bonds (distance) C4'-P energy: -163.163
bonds (distance) P-C4' energy: -154.525
flat angles C4'-P-C4' energy: -142.456
flat angles P-C4'-P energy: -85.625
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -975.029601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.029601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.029601 (E_RNA)
where:
Base-Base interactions energy: -503.560
where: short stacking energy: -257.228
Base-Backbone interact. energy: -1.023
local terms energy: -470.447282
where:
bonds (distance) C4'-P energy: -133.346
bonds (distance) P-C4' energy: -158.150
flat angles C4'-P-C4' energy: -120.613
flat angles P-C4'-P energy: -69.236
tors. eta vs tors. theta energy: 10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -744.355533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.355533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.355533 (E_RNA)
where:
Base-Base interactions energy: -309.299
where: short stacking energy: -200.438
Base-Backbone interact. energy: 6.856
local terms energy: -441.912836
where:
bonds (distance) C4'-P energy: -139.629
bonds (distance) P-C4' energy: -139.558
flat angles C4'-P-C4' energy: -113.054
flat angles P-C4'-P energy: -72.330
tors. eta vs tors. theta energy: 22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2813.692797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.692797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.692797 (E_RNA)
where:
Base-Base interactions energy: -1885.483
where: short stacking energy: -809.438
Base-Backbone interact. energy: 0.364
local terms energy: -928.573643
where:
bonds (distance) C4'-P energy: -181.724
bonds (distance) P-C4' energy: -183.850
flat angles C4'-P-C4' energy: -201.227
flat angles P-C4'-P energy: -129.884
tors. eta vs tors. theta energy: -231.889
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: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2689.286249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.286249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.286249 (E_RNA)
where:
Base-Base interactions energy: -1793.939
where: short stacking energy: -776.345
Base-Backbone interact. energy: -3.403
local terms energy: -891.944546
where:
bonds (distance) C4'-P energy: -172.227
bonds (distance) P-C4' energy: -189.374
flat angles C4'-P-C4' energy: -187.389
flat angles P-C4'-P energy: -122.652
tors. eta vs tors. theta energy: -220.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2492.832602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.832602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.832602 (E_RNA)
where:
Base-Base interactions energy: -1597.576
where: short stacking energy: -707.000
Base-Backbone interact. energy: 3.643
local terms energy: -898.899016
where:
bonds (distance) C4'-P energy: -182.648
bonds (distance) P-C4' energy: -185.815
flat angles C4'-P-C4' energy: -188.730
flat angles P-C4'-P energy: -121.092
tors. eta vs tors. theta energy: -220.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2136.785358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.785358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.785358 (E_RNA)
where:
Base-Base interactions energy: -1380.575
where: short stacking energy: -656.913
Base-Backbone interact. energy: -2.727
local terms energy: -753.483429
where:
bonds (distance) C4'-P energy: -153.936
bonds (distance) P-C4' energy: -171.961
flat angles C4'-P-C4' energy: -169.962
flat angles P-C4'-P energy: -98.645
tors. eta vs tors. theta energy: -158.978
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: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2033.466592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.466592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.466592 (E_RNA)
where:
Base-Base interactions energy: -1317.576
where: short stacking energy: -602.510
Base-Backbone interact. energy: -1.270
local terms energy: -714.619873
where:
bonds (distance) C4'-P energy: -171.837
bonds (distance) P-C4' energy: -176.129
flat angles C4'-P-C4' energy: -150.211
flat angles P-C4'-P energy: -77.128
tors. eta vs tors. theta energy: -139.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1584.996729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.996729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.996729 (E_RNA)
where:
Base-Base interactions energy: -923.204
where: short stacking energy: -467.265
Base-Backbone interact. energy: 0.411
local terms energy: -662.203570
where:
bonds (distance) C4'-P energy: -147.414
bonds (distance) P-C4' energy: -156.091
flat angles C4'-P-C4' energy: -169.624
flat angles P-C4'-P energy: -109.453
tors. eta vs tors. theta energy: -79.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1485.400820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.400820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.400820 (E_RNA)
where:
Base-Base interactions energy: -825.695
where: short stacking energy: -429.087
Base-Backbone interact. energy: -2.926
local terms energy: -656.780459
where:
bonds (distance) C4'-P energy: -148.183
bonds (distance) P-C4' energy: -162.958
flat angles C4'-P-C4' energy: -150.878
flat angles P-C4'-P energy: -114.458
tors. eta vs tors. theta energy: -80.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -950.916710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.916710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.916710 (E_RNA)
where:
Base-Base interactions energy: -407.258
where: short stacking energy: -283.785
Base-Backbone interact. energy: -2.022
local terms energy: -541.636536
where:
bonds (distance) C4'-P energy: -174.477
bonds (distance) P-C4' energy: -147.573
flat angles C4'-P-C4' energy: -128.252
flat angles P-C4'-P energy: -84.822
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1012.365857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.365857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.365857 (E_RNA)
where:
Base-Base interactions energy: -547.650
where: short stacking energy: -280.316
Base-Backbone interact. energy: 0.969
local terms energy: -465.684858
where:
bonds (distance) C4'-P energy: -134.457
bonds (distance) P-C4' energy: -153.790
flat angles C4'-P-C4' energy: -98.136
flat angles P-C4'-P energy: -71.857
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -691.992375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.992375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.992375 (E_RNA)
where:
Base-Base interactions energy: -246.538
where: short stacking energy: -205.656
Base-Backbone interact. energy: -1.788
local terms energy: -443.666902
where:
bonds (distance) C4'-P energy: -144.908
bonds (distance) P-C4' energy: -138.300
flat angles C4'-P-C4' energy: -130.275
flat angles P-C4'-P energy: -47.956
tors. eta vs tors. theta energy: 17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2819.853599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.853599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.853599 (E_RNA)
where:
Base-Base interactions energy: -1905.442
where: short stacking energy: -829.732
Base-Backbone interact. energy: -3.209
local terms energy: -911.203019
where:
bonds (distance) C4'-P energy: -165.860
bonds (distance) P-C4' energy: -168.313
flat angles C4'-P-C4' energy: -210.309
flat angles P-C4'-P energy: -132.190
tors. eta vs tors. theta energy: -234.531
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: 55
Temperature: 0.950000
Total energy: -2723.643088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.643088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.643088 (E_RNA)
where:
Base-Base interactions energy: -1823.934
where: short stacking energy: -819.875
Base-Backbone interact. energy: -4.964
local terms energy: -894.745917
where:
bonds (distance) C4'-P energy: -166.764
bonds (distance) P-C4' energy: -162.984
flat angles C4'-P-C4' energy: -194.527
flat angles P-C4'-P energy: -133.208
tors. eta vs tors. theta energy: -237.263
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2486.439354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.439354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.439354 (E_RNA)
where:
Base-Base interactions energy: -1640.591
where: short stacking energy: -757.199
Base-Backbone interact. energy: -3.442
local terms energy: -842.406603
where:
bonds (distance) C4'-P energy: -155.258
bonds (distance) P-C4' energy: -176.945
flat angles C4'-P-C4' energy: -162.633
flat angles P-C4'-P energy: -124.114
tors. eta vs tors. theta energy: -223.457
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: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2127.844781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.844781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.844781 (E_RNA)
where:
Base-Base interactions energy: -1340.092
where: short stacking energy: -659.948
Base-Backbone interact. energy: 1.478
local terms energy: -789.230870
where:
bonds (distance) C4'-P energy: -153.085
bonds (distance) P-C4' energy: -180.804
flat angles C4'-P-C4' energy: -175.146
flat angles P-C4'-P energy: -104.997
tors. eta vs tors. theta energy: -175.199
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: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2091.100627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.100627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.100627 (E_RNA)
where:
Base-Base interactions energy: -1322.841
where: short stacking energy: -627.699
Base-Backbone interact. energy: -3.133
local terms energy: -765.126208
where:
bonds (distance) C4'-P energy: -161.148
bonds (distance) P-C4' energy: -165.430
flat angles C4'-P-C4' energy: -173.241
flat angles P-C4'-P energy: -96.150
tors. eta vs tors. theta energy: -169.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1571.845996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.845996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.845996 (E_RNA)
where:
Base-Base interactions energy: -901.924
where: short stacking energy: -497.015
Base-Backbone interact. energy: -3.536
local terms energy: -666.385558
where:
bonds (distance) C4'-P energy: -158.760
bonds (distance) P-C4' energy: -170.536
flat angles C4'-P-C4' energy: -167.334
flat angles P-C4'-P energy: -91.094
tors. eta vs tors. theta energy: -78.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1525.011887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.011887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.011887 (E_RNA)
where:
Base-Base interactions energy: -895.607
where: short stacking energy: -441.180
Base-Backbone interact. energy: -3.794
local terms energy: -625.611199
where:
bonds (distance) C4'-P energy: -157.629
bonds (distance) P-C4' energy: -164.821
flat angles C4'-P-C4' energy: -148.290
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: -85.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1142.558278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.558278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.558278 (E_RNA)
where:
Base-Base interactions energy: -624.495
where: short stacking energy: -331.254
Base-Backbone interact. energy: 5.605
local terms energy: -523.668476
where:
bonds (distance) C4'-P energy: -139.122
bonds (distance) P-C4' energy: -146.631
flat angles C4'-P-C4' energy: -136.730
flat angles P-C4'-P energy: -85.331
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -951.393066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.393066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.393066 (E_RNA)
where:
Base-Base interactions energy: -443.545
where: short stacking energy: -275.190
Base-Backbone interact. energy: -0.959
local terms energy: -506.888802
where:
bonds (distance) C4'-P energy: -144.347
bonds (distance) P-C4' energy: -144.586
flat angles C4'-P-C4' energy: -147.308
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: 2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -714.437805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.437805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.437805 (E_RNA)
where:
Base-Base interactions energy: -257.235
where: short stacking energy: -190.458
Base-Backbone interact. energy: 1.732
local terms energy: -458.935554
where:
bonds (distance) C4'-P energy: -149.733
bonds (distance) P-C4' energy: -153.260
flat angles C4'-P-C4' energy: -113.319
flat angles P-C4'-P energy: -72.719
tors. eta vs tors. theta energy: 30.097
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: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2827.929292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.929292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.929292 (E_RNA)
where:
Base-Base interactions energy: -1904.852
where: short stacking energy: -827.371
Base-Backbone interact. energy: -1.476
local terms energy: -921.601473
where:
bonds (distance) C4'-P energy: -160.515
bonds (distance) P-C4' energy: -178.714
flat angles C4'-P-C4' energy: -202.585
flat angles P-C4'-P energy: -137.457
tors. eta vs tors. theta energy: -242.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2687.363048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.363048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.363048 (E_RNA)
where:
Base-Base interactions energy: -1787.439
where: short stacking energy: -769.767
Base-Backbone interact. energy: -0.636
local terms energy: -899.287894
where:
bonds (distance) C4'-P energy: -173.712
bonds (distance) P-C4' energy: -182.770
flat angles C4'-P-C4' energy: -217.333
flat angles P-C4'-P energy: -114.223
tors. eta vs tors. theta energy: -211.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2456.198740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.198740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.198740 (E_RNA)
where:
Base-Base interactions energy: -1604.939
where: short stacking energy: -707.007
Base-Backbone interact. energy: -4.817
local terms energy: -846.442844
where:
bonds (distance) C4'-P energy: -182.802
bonds (distance) P-C4' energy: -164.097
flat angles C4'-P-C4' energy: -170.314
flat angles P-C4'-P energy: -133.169
tors. eta vs tors. theta energy: -196.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2140.803570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.803570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.803570 (E_RNA)
where:
Base-Base interactions energy: -1338.558
where: short stacking energy: -630.925
Base-Backbone interact. energy: -2.613
local terms energy: -799.632998
where:
bonds (distance) C4'-P energy: -174.022
bonds (distance) P-C4' energy: -178.911
flat angles C4'-P-C4' energy: -184.286
flat angles P-C4'-P energy: -102.532
tors. eta vs tors. theta energy: -159.881
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: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2091.811845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.811845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.811845 (E_RNA)
where:
Base-Base interactions energy: -1344.190
where: short stacking energy: -630.388
Base-Backbone interact. energy: -4.237
local terms energy: -743.384691
where:
bonds (distance) C4'-P energy: -164.689
bonds (distance) P-C4' energy: -139.503
flat angles C4'-P-C4' energy: -163.545
flat angles P-C4'-P energy: -105.750
tors. eta vs tors. theta energy: -169.897
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: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1574.374191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.374191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.374191 (E_RNA)
where:
Base-Base interactions energy: -925.937
where: short stacking energy: -480.802
Base-Backbone interact. energy: -2.490
local terms energy: -645.947134
where:
bonds (distance) C4'-P energy: -152.510
bonds (distance) P-C4' energy: -168.901
flat angles C4'-P-C4' energy: -165.321
flat angles P-C4'-P energy: -77.586
tors. eta vs tors. theta energy: -81.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1560.913252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.913252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.913252 (E_RNA)
where:
Base-Base interactions energy: -927.323
where: short stacking energy: -507.885
Base-Backbone interact. energy: -2.668
local terms energy: -630.922418
where:
bonds (distance) C4'-P energy: -165.462
bonds (distance) P-C4' energy: -130.454
flat angles C4'-P-C4' energy: -144.590
flat angles P-C4'-P energy: -101.910
tors. eta vs tors. theta energy: -88.506
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: 56
Temperature: 1.250000
Total energy: -1147.273432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.273432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.273432 (E_RNA)
where:
Base-Base interactions energy: -578.841
where: short stacking energy: -294.463
Base-Backbone interact. energy: -1.120
local terms energy: -567.312812
where:
bonds (distance) C4'-P energy: -139.449
bonds (distance) P-C4' energy: -172.856
flat angles C4'-P-C4' energy: -147.876
flat angles P-C4'-P energy: -92.542
tors. eta vs tors. theta energy: -14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -900.541584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.541584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.541584 (E_RNA)
where:
Base-Base interactions energy: -416.395
where: short stacking energy: -250.363
Base-Backbone interact. energy: 4.534
local terms energy: -488.680056
where:
bonds (distance) C4'-P energy: -139.882
bonds (distance) P-C4' energy: -153.642
flat angles C4'-P-C4' energy: -154.091
flat angles P-C4'-P energy: -64.080
tors. eta vs tors. theta energy: 23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -664.381809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.381809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.381809 (E_RNA)
where:
Base-Base interactions energy: -251.546
where: short stacking energy: -190.085
Base-Backbone interact. energy: 1.673
local terms energy: -414.509249
where:
bonds (distance) C4'-P energy: -128.641
bonds (distance) P-C4' energy: -158.800
flat angles C4'-P-C4' energy: -107.498
flat angles P-C4'-P energy: -62.270
tors. eta vs tors. theta energy: 42.700
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: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2830.418344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.418344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.418344 (E_RNA)
where:
Base-Base interactions energy: -1899.215
where: short stacking energy: -816.198
Base-Backbone interact. energy: -4.546
local terms energy: -926.656667
where:
bonds (distance) C4'-P energy: -181.889
bonds (distance) P-C4' energy: -182.181
flat angles C4'-P-C4' energy: -212.172
flat angles P-C4'-P energy: -123.845
tors. eta vs tors. theta energy: -226.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2710.061688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.061688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.061688 (E_RNA)
where:
Base-Base interactions energy: -1818.592
where: short stacking energy: -790.810
Base-Backbone interact. energy: -1.733
local terms energy: -889.736064
where:
bonds (distance) C4'-P energy: -168.773
bonds (distance) P-C4' energy: -186.040
flat angles C4'-P-C4' energy: -201.497
flat angles P-C4'-P energy: -118.781
tors. eta vs tors. theta energy: -214.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2493.721416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.721416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.721416 (E_RNA)
where:
Base-Base interactions energy: -1615.446
where: short stacking energy: -765.611
Base-Backbone interact. energy: -1.654
local terms energy: -876.621354
where:
bonds (distance) C4'-P energy: -172.966
bonds (distance) P-C4' energy: -180.722
flat angles C4'-P-C4' energy: -187.114
flat angles P-C4'-P energy: -121.892
tors. eta vs tors. theta energy: -213.927
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: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2169.456842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.456842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.456842 (E_RNA)
where:
Base-Base interactions energy: -1354.354
where: short stacking energy: -634.805
Base-Backbone interact. energy: 1.916
local terms energy: -817.018147
where:
bonds (distance) C4'-P energy: -157.192
bonds (distance) P-C4' energy: -187.984
flat angles C4'-P-C4' energy: -180.742
flat angles P-C4'-P energy: -125.515
tors. eta vs tors. theta energy: -165.584
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: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1967.976376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.976376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.976376 (E_RNA)
where:
Base-Base interactions energy: -1247.817
where: short stacking energy: -598.147
Base-Backbone interact. energy: 2.262
local terms energy: -722.421363
where:
bonds (distance) C4'-P energy: -162.418
bonds (distance) P-C4' energy: -155.439
flat angles C4'-P-C4' energy: -168.484
flat angles P-C4'-P energy: -102.639
tors. eta vs tors. theta energy: -133.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1692.784577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.784577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.784577 (E_RNA)
where:
Base-Base interactions energy: -1030.767
where: short stacking energy: -537.547
Base-Backbone interact. energy: 0.588
local terms energy: -662.605943
where:
bonds (distance) C4'-P energy: -158.253
bonds (distance) P-C4' energy: -159.659
flat angles C4'-P-C4' energy: -163.156
flat angles P-C4'-P energy: -76.683
tors. eta vs tors. theta energy: -104.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1518.035620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.035620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.035620 (E_RNA)
where:
Base-Base interactions energy: -891.945
where: short stacking energy: -413.554
Base-Backbone interact. energy: -3.118
local terms energy: -622.972264
where:
bonds (distance) C4'-P energy: -148.191
bonds (distance) P-C4' energy: -158.015
flat angles C4'-P-C4' energy: -160.708
flat angles P-C4'-P energy: -89.823
tors. eta vs tors. theta energy: -66.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1171.039467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.039467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.039467 (E_RNA)
where:
Base-Base interactions energy: -603.210
where: short stacking energy: -313.743
Base-Backbone interact. energy: 1.700
local terms energy: -569.529186
where:
bonds (distance) C4'-P energy: -164.056
bonds (distance) P-C4' energy: -155.855
flat angles C4'-P-C4' energy: -141.262
flat angles P-C4'-P energy: -87.392
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -884.785956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.785956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.785956 (E_RNA)
where:
Base-Base interactions energy: -409.702
where: short stacking energy: -254.256
Base-Backbone interact. energy: 3.014
local terms energy: -478.097338
where:
bonds (distance) C4'-P energy: -143.902
bonds (distance) P-C4' energy: -133.513
flat angles C4'-P-C4' energy: -136.034
flat angles P-C4'-P energy: -81.535
tors. eta vs tors. theta energy: 16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -683.835549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.835549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.835549 (E_RNA)
where:
Base-Base interactions energy: -233.831
where: short stacking energy: -162.986
Base-Backbone interact. energy: -1.611
local terms energy: -448.393874
where:
bonds (distance) C4'-P energy: -154.022
bonds (distance) P-C4' energy: -149.100
flat angles C4'-P-C4' energy: -120.546
flat angles P-C4'-P energy: -77.138
tors. eta vs tors. theta energy: 52.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2840.751995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.751995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.751995 (E_RNA)
where:
Base-Base interactions energy: -1914.228
where: short stacking energy: -840.681
Base-Backbone interact. energy: -4.499
local terms energy: -922.024332
where:
bonds (distance) C4'-P energy: -172.034
bonds (distance) P-C4' energy: -178.450
flat angles C4'-P-C4' energy: -192.019
flat angles P-C4'-P energy: -147.749
tors. eta vs tors. theta energy: -231.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2667.606729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.606729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.606729 (E_RNA)
where:
Base-Base interactions energy: -1774.053
where: short stacking energy: -750.554
Base-Backbone interact. energy: -1.159
local terms energy: -892.395002
where:
bonds (distance) C4'-P energy: -172.783
bonds (distance) P-C4' energy: -184.792
flat angles C4'-P-C4' energy: -191.154
flat angles P-C4'-P energy: -127.806
tors. eta vs tors. theta energy: -215.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2533.089898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.089898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.089898 (E_RNA)
where:
Base-Base interactions energy: -1686.253
where: short stacking energy: -759.679
Base-Backbone interact. energy: -3.241
local terms energy: -843.595288
where:
bonds (distance) C4'-P energy: -150.735
bonds (distance) P-C4' energy: -184.848
flat angles C4'-P-C4' energy: -190.787
flat angles P-C4'-P energy: -116.476
tors. eta vs tors. theta energy: -200.750
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2241.008942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.008942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.008942 (E_RNA)
where:
Base-Base interactions energy: -1451.134
where: short stacking energy: -653.884
Base-Backbone interact. energy: -3.581
local terms energy: -786.294762
where:
bonds (distance) C4'-P energy: -157.875
bonds (distance) P-C4' energy: -161.838
flat angles C4'-P-C4' energy: -179.860
flat angles P-C4'-P energy: -107.847
tors. eta vs tors. theta energy: -178.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1934.861313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.861313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.861313 (E_RNA)
where:
Base-Base interactions energy: -1203.077
where: short stacking energy: -594.738
Base-Backbone interact. energy: -0.881
local terms energy: -730.903866
where:
bonds (distance) C4'-P energy: -160.182
bonds (distance) P-C4' energy: -160.757
flat angles C4'-P-C4' energy: -168.142
flat angles P-C4'-P energy: -104.901
tors. eta vs tors. theta energy: -136.921
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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1681.406197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.406197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.406197 (E_RNA)
where:
Base-Base interactions energy: -1046.490
where: short stacking energy: -528.481
Base-Backbone interact. energy: 2.224
local terms energy: -637.140131
where:
bonds (distance) C4'-P energy: -113.801
bonds (distance) P-C4' energy: -175.436
flat angles C4'-P-C4' energy: -134.636
flat angles P-C4'-P energy: -107.909
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: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1490.898279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.898279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.898279 (E_RNA)
where:
Base-Base interactions energy: -832.251
where: short stacking energy: -437.939
Base-Backbone interact. energy: 3.293
local terms energy: -661.940547
where:
bonds (distance) C4'-P energy: -146.837
bonds (distance) P-C4' energy: -164.836
flat angles C4'-P-C4' energy: -150.939
flat angles P-C4'-P energy: -110.183
tors. eta vs tors. theta energy: -89.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1141.326568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.326568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.326568 (E_RNA)
where:
Base-Base interactions energy: -585.541
where: short stacking energy: -336.489
Base-Backbone interact. energy: -2.271
local terms energy: -553.515023
where:
bonds (distance) C4'-P energy: -148.564
bonds (distance) P-C4' energy: -152.315
flat angles C4'-P-C4' energy: -162.301
flat angles P-C4'-P energy: -72.391
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -889.601028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.601028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.601028 (E_RNA)
where:
Base-Base interactions energy: -406.668
where: short stacking energy: -254.430
Base-Backbone interact. energy: -0.827
local terms energy: -482.105865
where:
bonds (distance) C4'-P energy: -137.783
bonds (distance) P-C4' energy: -156.128
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -67.479
tors. eta vs tors. theta energy: 4.395
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: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -671.737513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.737513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.737513 (E_RNA)
where:
Base-Base interactions energy: -238.322
where: short stacking energy: -172.017
Base-Backbone interact. energy: -1.809
local terms energy: -431.606279
where:
bonds (distance) C4'-P energy: -123.980
bonds (distance) P-C4' energy: -169.858
flat angles C4'-P-C4' energy: -117.053
flat angles P-C4'-P energy: -62.924
tors. eta vs tors. theta energy: 42.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2853.865725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.865725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.865725 (E_RNA)
where:
Base-Base interactions energy: -1909.413
where: short stacking energy: -809.493
Base-Backbone interact. energy: 1.997
local terms energy: -946.450026
where:
bonds (distance) C4'-P energy: -188.450
bonds (distance) P-C4' energy: -184.837
flat angles C4'-P-C4' energy: -208.696
flat angles P-C4'-P energy: -131.917
tors. eta vs tors. theta energy: -232.550
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2677.700266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.700266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.700266 (E_RNA)
where:
Base-Base interactions energy: -1782.304
where: short stacking energy: -778.170
Base-Backbone interact. energy: -4.715
local terms energy: -890.681573
where:
bonds (distance) C4'-P energy: -189.754
bonds (distance) P-C4' energy: -179.366
flat angles C4'-P-C4' energy: -180.943
flat angles P-C4'-P energy: -124.069
tors. eta vs tors. theta energy: -216.549
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: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2540.103443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.103443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.103443 (E_RNA)
where:
Base-Base interactions energy: -1679.805
where: short stacking energy: -730.544
Base-Backbone interact. energy: -1.073
local terms energy: -859.225624
where:
bonds (distance) C4'-P energy: -169.060
bonds (distance) P-C4' energy: -175.834
flat angles C4'-P-C4' energy: -187.636
flat angles P-C4'-P energy: -120.208
tors. eta vs tors. theta energy: -206.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2233.701171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.701171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.701171 (E_RNA)
where:
Base-Base interactions energy: -1444.371
where: short stacking energy: -651.911
Base-Backbone interact. energy: -3.396
local terms energy: -785.934318
where:
bonds (distance) C4'-P energy: -171.311
bonds (distance) P-C4' energy: -157.638
flat angles C4'-P-C4' energy: -178.503
flat angles P-C4'-P energy: -110.365
tors. eta vs tors. theta energy: -168.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2001.097016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.097016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.097016 (E_RNA)
where:
Base-Base interactions energy: -1270.306
where: short stacking energy: -599.476
Base-Backbone interact. energy: -0.010
local terms energy: -730.781080
where:
bonds (distance) C4'-P energy: -155.804
bonds (distance) P-C4' energy: -184.790
flat angles C4'-P-C4' energy: -172.962
flat angles P-C4'-P energy: -76.117
tors. eta vs tors. theta energy: -141.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1804.269602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.269602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.269602 (E_RNA)
where:
Base-Base interactions energy: -1091.134
where: short stacking energy: -513.297
Base-Backbone interact. energy: 0.800
local terms energy: -713.935464
where:
bonds (distance) C4'-P energy: -168.890
bonds (distance) P-C4' energy: -174.723
flat angles C4'-P-C4' energy: -160.624
flat angles P-C4'-P energy: -86.434
tors. eta vs tors. theta energy: -123.265
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: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1531.421661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.421661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.421661 (E_RNA)
where:
Base-Base interactions energy: -876.069
where: short stacking energy: -413.248
Base-Backbone interact. energy: -1.935
local terms energy: -653.416990
where:
bonds (distance) C4'-P energy: -152.188
bonds (distance) P-C4' energy: -181.959
flat angles C4'-P-C4' energy: -164.002
flat angles P-C4'-P energy: -83.380
tors. eta vs tors. theta energy: -71.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1139.749035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.749035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.749035 (E_RNA)
where:
Base-Base interactions energy: -607.656
where: short stacking energy: -319.200
Base-Backbone interact. energy: 3.296
local terms energy: -535.388427
where:
bonds (distance) C4'-P energy: -161.039
bonds (distance) P-C4' energy: -149.462
flat angles C4'-P-C4' energy: -137.099
flat angles P-C4'-P energy: -65.197
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -814.086138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.086138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.086138 (E_RNA)
where:
Base-Base interactions energy: -295.484
where: short stacking energy: -208.048
Base-Backbone interact. energy: 7.019
local terms energy: -525.620886
where:
bonds (distance) C4'-P energy: -165.787
bonds (distance) P-C4' energy: -156.408
flat angles C4'-P-C4' energy: -142.338
flat angles P-C4'-P energy: -71.687
tors. eta vs tors. theta energy: 10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -664.685990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.685990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.685990 (E_RNA)
where:
Base-Base interactions energy: -230.431
where: short stacking energy: -172.768
Base-Backbone interact. energy: 0.308
local terms energy: -434.563381
where:
bonds (distance) C4'-P energy: -109.804
bonds (distance) P-C4' energy: -140.452
flat angles C4'-P-C4' energy: -133.848
flat angles P-C4'-P energy: -71.474
tors. eta vs tors. theta energy: 21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2807.724032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.724032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.724032 (E_RNA)
where:
Base-Base interactions energy: -1877.741
where: short stacking energy: -814.854
Base-Backbone interact. energy: 0.224
local terms energy: -930.206738
where:
bonds (distance) C4'-P energy: -179.708
bonds (distance) P-C4' energy: -186.140
flat angles C4'-P-C4' energy: -199.978
flat angles P-C4'-P energy: -133.569
tors. eta vs tors. theta energy: -230.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2728.084382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.084382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.084382 (E_RNA)
where:
Base-Base interactions energy: -1851.344
where: short stacking energy: -781.018
Base-Backbone interact. energy: -6.298
local terms energy: -870.443149
where:
bonds (distance) C4'-P energy: -156.212
bonds (distance) P-C4' energy: -184.371
flat angles C4'-P-C4' energy: -186.226
flat angles P-C4'-P energy: -122.534
tors. eta vs tors. theta energy: -221.100
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: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2547.309466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.309466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.309466 (E_RNA)
where:
Base-Base interactions energy: -1708.667
where: short stacking energy: -738.073
Base-Backbone interact. energy: -1.092
local terms energy: -837.550562
where:
bonds (distance) C4'-P energy: -144.259
bonds (distance) P-C4' energy: -160.375
flat angles C4'-P-C4' energy: -197.168
flat angles P-C4'-P energy: -125.286
tors. eta vs tors. theta energy: -210.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2256.295838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.295838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.295838 (E_RNA)
where:
Base-Base interactions energy: -1451.851
where: short stacking energy: -674.978
Base-Backbone interact. energy: 0.531
local terms energy: -804.975658
where:
bonds (distance) C4'-P energy: -155.608
bonds (distance) P-C4' energy: -179.466
flat angles C4'-P-C4' energy: -179.762
flat angles P-C4'-P energy: -129.283
tors. eta vs tors. theta energy: -160.857
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: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1950.610367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.610367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.610367 (E_RNA)
where:
Base-Base interactions energy: -1213.757
where: short stacking energy: -592.572
Base-Backbone interact. energy: -2.856
local terms energy: -733.997960
where:
bonds (distance) C4'-P energy: -158.016
bonds (distance) P-C4' energy: -164.027
flat angles C4'-P-C4' energy: -180.559
flat angles P-C4'-P energy: -96.626
tors. eta vs tors. theta energy: -134.769
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: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1667.893389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.893389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.893389 (E_RNA)
where:
Base-Base interactions energy: -988.704
where: short stacking energy: -446.058
Base-Backbone interact. energy: -2.695
local terms energy: -676.494851
where:
bonds (distance) C4'-P energy: -172.098
bonds (distance) P-C4' energy: -155.691
flat angles C4'-P-C4' energy: -161.793
flat angles P-C4'-P energy: -106.610
tors. eta vs tors. theta energy: -80.303
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: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1582.463705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.463705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.463705 (E_RNA)
where:
Base-Base interactions energy: -928.383
where: short stacking energy: -468.756
Base-Backbone interact. energy: -2.458
local terms energy: -651.622279
where:
bonds (distance) C4'-P energy: -140.871
bonds (distance) P-C4' energy: -157.928
flat angles C4'-P-C4' energy: -156.092
flat angles P-C4'-P energy: -99.638
tors. eta vs tors. theta energy: -97.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1190.701010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.701010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.701010 (E_RNA)
where:
Base-Base interactions energy: -647.436
where: short stacking energy: -303.726
Base-Backbone interact. energy: -1.773
local terms energy: -541.491265
where:
bonds (distance) C4'-P energy: -159.881
bonds (distance) P-C4' energy: -145.826
flat angles C4'-P-C4' energy: -123.530
flat angles P-C4'-P energy: -84.998
tors. eta vs tors. theta energy: -27.257
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: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -817.915370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.915370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.915370 (E_RNA)
where:
Base-Base interactions energy: -326.324
where: short stacking energy: -222.444
Base-Backbone interact. energy: 3.232
local terms energy: -494.823737
where:
bonds (distance) C4'-P energy: -148.525
bonds (distance) P-C4' energy: -168.692
flat angles C4'-P-C4' energy: -127.197
flat angles P-C4'-P energy: -82.928
tors. eta vs tors. theta energy: 32.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -811.248854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.248854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.248854 (E_RNA)
where:
Base-Base interactions energy: -351.059
where: short stacking energy: -211.796
Base-Backbone interact. energy: 5.267
local terms energy: -465.456283
where:
bonds (distance) C4'-P energy: -126.461
bonds (distance) P-C4' energy: -151.665
flat angles C4'-P-C4' energy: -126.810
flat angles P-C4'-P energy: -88.222
tors. eta vs tors. theta energy: 27.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2799.521562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.521562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.521562 (E_RNA)
where:
Base-Base interactions energy: -1878.239
where: short stacking energy: -820.154
Base-Backbone interact. energy: -2.094
local terms energy: -919.188655
where:
bonds (distance) C4'-P energy: -162.682
bonds (distance) P-C4' energy: -191.898
flat angles C4'-P-C4' energy: -198.116
flat angles P-C4'-P energy: -140.931
tors. eta vs tors. theta energy: -225.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2740.571562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.571562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.571562 (E_RNA)
where:
Base-Base interactions energy: -1865.166
where: short stacking energy: -796.765
Base-Backbone interact. energy: -1.110
local terms energy: -874.295575
where:
bonds (distance) C4'-P energy: -169.221
bonds (distance) P-C4' energy: -170.859
flat angles C4'-P-C4' energy: -186.585
flat angles P-C4'-P energy: -124.729
tors. eta vs tors. theta energy: -222.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2520.170081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.170081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.170081 (E_RNA)
where:
Base-Base interactions energy: -1682.037
where: short stacking energy: -745.887
Base-Backbone interact. energy: -8.812
local terms energy: -829.320977
where:
bonds (distance) C4'-P energy: -158.677
bonds (distance) P-C4' energy: -164.790
flat angles C4'-P-C4' energy: -191.208
flat angles P-C4'-P energy: -114.358
tors. eta vs tors. theta energy: -200.289
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2216.969316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.969316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.969316 (E_RNA)
where:
Base-Base interactions energy: -1419.758
where: short stacking energy: -629.676
Base-Backbone interact. energy: -5.047
local terms energy: -792.164560
where:
bonds (distance) C4'-P energy: -158.653
bonds (distance) P-C4' energy: -163.788
flat angles C4'-P-C4' energy: -175.857
flat angles P-C4'-P energy: -127.580
tors. eta vs tors. theta energy: -166.287
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1992.282554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.282554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.282554 (E_RNA)
where:
Base-Base interactions energy: -1257.702
where: short stacking energy: -608.658
Base-Backbone interact. energy: -0.907
local terms energy: -733.673684
where:
bonds (distance) C4'-P energy: -150.999
bonds (distance) P-C4' energy: -192.445
flat angles C4'-P-C4' energy: -151.263
flat angles P-C4'-P energy: -99.100
tors. eta vs tors. theta energy: -139.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1591.589869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.589869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.589869 (E_RNA)
where:
Base-Base interactions energy: -899.943
where: short stacking energy: -501.858
Base-Backbone interact. energy: 4.562
local terms energy: -696.208752
where:
bonds (distance) C4'-P energy: -156.191
bonds (distance) P-C4' energy: -174.552
flat angles C4'-P-C4' energy: -172.128
flat angles P-C4'-P energy: -99.299
tors. eta vs tors. theta energy: -94.039
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: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1564.515630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.515630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.515630 (E_RNA)
where:
Base-Base interactions energy: -978.717
where: short stacking energy: -473.447
Base-Backbone interact. energy: 1.887
local terms energy: -587.686330
where:
bonds (distance) C4'-P energy: -128.896
bonds (distance) P-C4' energy: -171.767
flat angles C4'-P-C4' energy: -131.777
flat angles P-C4'-P energy: -86.496
tors. eta vs tors. theta energy: -68.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1107.017722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.017722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.017722 (E_RNA)
where:
Base-Base interactions energy: -535.375
where: short stacking energy: -281.592
Base-Backbone interact. energy: -2.997
local terms energy: -568.645618
where:
bonds (distance) C4'-P energy: -151.080
bonds (distance) P-C4' energy: -163.001
flat angles C4'-P-C4' energy: -143.903
flat angles P-C4'-P energy: -82.566
tors. eta vs tors. theta energy: -28.096
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: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -920.508781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.508781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.508781 (E_RNA)
where:
Base-Base interactions energy: -427.102
where: short stacking energy: -282.265
Base-Backbone interact. energy: -1.399
local terms energy: -492.007629
where:
bonds (distance) C4'-P energy: -120.825
bonds (distance) P-C4' energy: -159.821
flat angles C4'-P-C4' energy: -126.597
flat angles P-C4'-P energy: -62.334
tors. eta vs tors. theta energy: -22.431
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: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -792.873141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.873141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.873141 (E_RNA)
where:
Base-Base interactions energy: -337.623
where: short stacking energy: -212.559
Base-Backbone interact. energy: -0.985
local terms energy: -454.265850
where:
bonds (distance) C4'-P energy: -138.421
bonds (distance) P-C4' energy: -143.372
flat angles C4'-P-C4' energy: -111.241
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: 26.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2808.004808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.004808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.004808 (E_RNA)
where:
Base-Base interactions energy: -1869.186
where: short stacking energy: -778.709
Base-Backbone interact. energy: -0.216
local terms energy: -938.602802
where:
bonds (distance) C4'-P energy: -189.245
bonds (distance) P-C4' energy: -188.460
flat angles C4'-P-C4' energy: -205.840
flat angles P-C4'-P energy: -136.466
tors. eta vs tors. theta energy: -218.591
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: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2736.644688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.644688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.644688 (E_RNA)
where:
Base-Base interactions energy: -1842.552
where: short stacking energy: -789.084
Base-Backbone interact. energy: -5.066
local terms energy: -889.026417
where:
bonds (distance) C4'-P energy: -174.583
bonds (distance) P-C4' energy: -179.360
flat angles C4'-P-C4' energy: -179.125
flat angles P-C4'-P energy: -133.635
tors. eta vs tors. theta energy: -222.325
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: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2508.181621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.181621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.181621 (E_RNA)
where:
Base-Base interactions energy: -1664.982
where: short stacking energy: -759.433
Base-Backbone interact. energy: -4.167
local terms energy: -839.032616
where:
bonds (distance) C4'-P energy: -147.097
bonds (distance) P-C4' energy: -162.236
flat angles C4'-P-C4' energy: -190.881
flat angles P-C4'-P energy: -128.247
tors. eta vs tors. theta energy: -210.571
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: 62
Temperature: 1.050000
Total energy: -2283.217345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.217345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.217345 (E_RNA)
where:
Base-Base interactions energy: -1493.560
where: short stacking energy: -641.253
Base-Backbone interact. energy: 3.420
local terms energy: -793.077410
where:
bonds (distance) C4'-P energy: -174.176
bonds (distance) P-C4' energy: -177.179
flat angles C4'-P-C4' energy: -170.800
flat angles P-C4'-P energy: -115.163
tors. eta vs tors. theta energy: -155.760
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: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2019.653549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.653549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.653549 (E_RNA)
where:
Base-Base interactions energy: -1262.757
where: short stacking energy: -605.487
Base-Backbone interact. energy: -1.904
local terms energy: -754.993088
where:
bonds (distance) C4'-P energy: -167.272
bonds (distance) P-C4' energy: -170.529
flat angles C4'-P-C4' energy: -168.046
flat angles P-C4'-P energy: -104.502
tors. eta vs tors. theta energy: -144.644
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: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1627.005765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.005765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.005765 (E_RNA)
where:
Base-Base interactions energy: -931.550
where: short stacking energy: -499.311
Base-Backbone interact. energy: -1.410
local terms energy: -694.045007
where:
bonds (distance) C4'-P energy: -162.179
bonds (distance) P-C4' energy: -160.856
flat angles C4'-P-C4' energy: -167.115
flat angles P-C4'-P energy: -92.045
tors. eta vs tors. theta energy: -111.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1643.837036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.837036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.837036 (E_RNA)
where:
Base-Base interactions energy: -982.772
where: short stacking energy: -483.605
Base-Backbone interact. energy: 1.708
local terms energy: -662.773103
where:
bonds (distance) C4'-P energy: -139.481
bonds (distance) P-C4' energy: -150.334
flat angles C4'-P-C4' energy: -173.786
flat angles P-C4'-P energy: -100.685
tors. eta vs tors. theta energy: -98.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1158.347758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.347758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.347758 (E_RNA)
where:
Base-Base interactions energy: -610.229
where: short stacking energy: -340.508
Base-Backbone interact. energy: 2.860
local terms energy: -550.977906
where:
bonds (distance) C4'-P energy: -134.496
bonds (distance) P-C4' energy: -162.456
flat angles C4'-P-C4' energy: -138.904
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -34.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -860.355821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.355821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.355821 (E_RNA)
where:
Base-Base interactions energy: -376.827
where: short stacking energy: -230.164
Base-Backbone interact. energy: 2.534
local terms energy: -486.062844
where:
bonds (distance) C4'-P energy: -160.590
bonds (distance) P-C4' energy: -132.305
flat angles C4'-P-C4' energy: -127.985
flat angles P-C4'-P energy: -65.131
tors. eta vs tors. theta energy: -0.052
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -766.698826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.698826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.698826 (E_RNA)
where:
Base-Base interactions energy: -296.549
where: short stacking energy: -195.420
Base-Backbone interact. energy: 6.303
local terms energy: -476.452924
where:
bonds (distance) C4'-P energy: -142.820
bonds (distance) P-C4' energy: -161.549
flat angles C4'-P-C4' energy: -123.007
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: 25.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2766.234876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.234876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.234876 (E_RNA)
where:
Base-Base interactions energy: -1856.191
where: short stacking energy: -807.214
Base-Backbone interact. energy: -2.756
local terms energy: -907.287626
where:
bonds (distance) C4'-P energy: -183.522
bonds (distance) P-C4' energy: -191.961
flat angles C4'-P-C4' energy: -200.812
flat angles P-C4'-P energy: -118.589
tors. eta vs tors. theta energy: -212.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2751.593866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.593866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.593866 (E_RNA)
where:
Base-Base interactions energy: -1844.205
where: short stacking energy: -760.707
Base-Backbone interact. energy: -4.049
local terms energy: -903.339267
where:
bonds (distance) C4'-P energy: -182.893
bonds (distance) P-C4' energy: -198.625
flat angles C4'-P-C4' energy: -194.031
flat angles P-C4'-P energy: -128.170
tors. eta vs tors. theta energy: -199.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2543.353492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.353492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.353492 (E_RNA)
where:
Base-Base interactions energy: -1666.951
where: short stacking energy: -737.351
Base-Backbone interact. energy: 3.318
local terms energy: -879.720466
where:
bonds (distance) C4'-P energy: -165.007
bonds (distance) P-C4' energy: -177.896
flat angles C4'-P-C4' energy: -193.541
flat angles P-C4'-P energy: -133.947
tors. eta vs tors. theta energy: -209.329
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: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2306.083645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.083645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.083645 (E_RNA)
where:
Base-Base interactions energy: -1503.229
where: short stacking energy: -682.651
Base-Backbone interact. energy: -2.712
local terms energy: -800.142318
where:
bonds (distance) C4'-P energy: -167.916
bonds (distance) P-C4' energy: -162.506
flat angles C4'-P-C4' energy: -191.155
flat angles P-C4'-P energy: -112.674
tors. eta vs tors. theta energy: -165.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2056.449933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.449933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.449933 (E_RNA)
where:
Base-Base interactions energy: -1298.491
where: short stacking energy: -604.446
Base-Backbone interact. energy: -4.875
local terms energy: -753.083413
where:
bonds (distance) C4'-P energy: -154.742
bonds (distance) P-C4' energy: -159.711
flat angles C4'-P-C4' energy: -175.600
flat angles P-C4'-P energy: -110.700
tors. eta vs tors. theta energy: -152.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1625.050197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.050197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.050197 (E_RNA)
where:
Base-Base interactions energy: -943.475
where: short stacking energy: -459.258
Base-Backbone interact. energy: -1.244
local terms energy: -680.331606
where:
bonds (distance) C4'-P energy: -148.648
bonds (distance) P-C4' energy: -162.454
flat angles C4'-P-C4' energy: -166.506
flat angles P-C4'-P energy: -105.717
tors. eta vs tors. theta energy: -97.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1645.165529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.165529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.165529 (E_RNA)
where:
Base-Base interactions energy: -1038.027
where: short stacking energy: -497.373
Base-Backbone interact. energy: -1.317
local terms energy: -605.821977
where:
bonds (distance) C4'-P energy: -144.239
bonds (distance) P-C4' energy: -128.473
flat angles C4'-P-C4' energy: -140.267
flat angles P-C4'-P energy: -100.911
tors. eta vs tors. theta energy: -91.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1108.720717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.720717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.720717 (E_RNA)
where:
Base-Base interactions energy: -571.791
where: short stacking energy: -312.429
Base-Backbone interact. energy: 4.419
local terms energy: -541.348498
where:
bonds (distance) C4'-P energy: -141.894
bonds (distance) P-C4' energy: -156.559
flat angles C4'-P-C4' energy: -152.425
flat angles P-C4'-P energy: -74.878
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -892.512802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.512802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.512802 (E_RNA)
where:
Base-Base interactions energy: -370.197
where: short stacking energy: -249.628
Base-Backbone interact. energy: 4.352
local terms energy: -526.666871
where:
bonds (distance) C4'-P energy: -164.723
bonds (distance) P-C4' energy: -153.437
flat angles C4'-P-C4' energy: -111.262
flat angles P-C4'-P energy: -110.507
tors. eta vs tors. theta energy: 13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -831.808314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.808314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.808314 (E_RNA)
where:
Base-Base interactions energy: -380.694
where: short stacking energy: -208.883
Base-Backbone interact. energy: -1.178
local terms energy: -449.937112
where:
bonds (distance) C4'-P energy: -126.306
bonds (distance) P-C4' energy: -156.859
flat angles C4'-P-C4' energy: -140.806
flat angles P-C4'-P energy: -51.866
tors. eta vs tors. theta energy: 25.900
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: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2873.592280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.592280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.592280 (E_RNA)
where:
Base-Base interactions energy: -1945.274
where: short stacking energy: -814.373
Base-Backbone interact. energy: -0.088
local terms energy: -928.230513
where:
bonds (distance) C4'-P energy: -182.153
bonds (distance) P-C4' energy: -192.462
flat angles C4'-P-C4' energy: -193.435
flat angles P-C4'-P energy: -127.725
tors. eta vs tors. theta energy: -232.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2689.160181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.160181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.160181 (E_RNA)
where:
Base-Base interactions energy: -1789.244
where: short stacking energy: -790.179
Base-Backbone interact. energy: -4.523
local terms energy: -895.392611
where:
bonds (distance) C4'-P energy: -186.827
bonds (distance) P-C4' energy: -188.905
flat angles C4'-P-C4' energy: -186.513
flat angles P-C4'-P energy: -113.113
tors. eta vs tors. theta energy: -220.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2622.855203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.855203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.855203 (E_RNA)
where:
Base-Base interactions energy: -1766.012
where: short stacking energy: -746.893
Base-Backbone interact. energy: -5.387
local terms energy: -851.456280
where:
bonds (distance) C4'-P energy: -164.165
bonds (distance) P-C4' energy: -168.942
flat angles C4'-P-C4' energy: -185.520
flat angles P-C4'-P energy: -118.647
tors. eta vs tors. theta energy: -214.182
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2343.770778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.770778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.770778 (E_RNA)
where:
Base-Base interactions energy: -1559.476
where: short stacking energy: -709.760
Base-Backbone interact. energy: -2.765
local terms energy: -781.529433
where:
bonds (distance) C4'-P energy: -149.485
bonds (distance) P-C4' energy: -143.505
flat angles C4'-P-C4' energy: -178.659
flat angles P-C4'-P energy: -123.840
tors. eta vs tors. theta energy: -186.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2027.671050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.671050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.671050 (E_RNA)
where:
Base-Base interactions energy: -1290.093
where: short stacking energy: -585.045
Base-Backbone interact. energy: 0.607
local terms energy: -738.184654
where:
bonds (distance) C4'-P energy: -164.123
bonds (distance) P-C4' energy: -156.986
flat angles C4'-P-C4' energy: -170.455
flat angles P-C4'-P energy: -110.247
tors. eta vs tors. theta energy: -136.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1705.479046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.479046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.479046 (E_RNA)
where:
Base-Base interactions energy: -999.704
where: short stacking energy: -550.518
Base-Backbone interact. energy: 3.806
local terms energy: -709.581061
where:
bonds (distance) C4'-P energy: -152.741
bonds (distance) P-C4' energy: -148.801
flat angles C4'-P-C4' energy: -158.555
flat angles P-C4'-P energy: -109.548
tors. eta vs tors. theta energy: -139.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1676.208392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.208392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.208392 (E_RNA)
where:
Base-Base interactions energy: -1004.827
where: short stacking energy: -476.613
Base-Backbone interact. energy: -0.931
local terms energy: -670.450363
where:
bonds (distance) C4'-P energy: -148.319
bonds (distance) P-C4' energy: -170.368
flat angles C4'-P-C4' energy: -155.019
flat angles P-C4'-P energy: -79.429
tors. eta vs tors. theta energy: -117.315
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: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1159.955103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.955103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.955103 (E_RNA)
where:
Base-Base interactions energy: -649.608
where: short stacking energy: -314.954
Base-Backbone interact. energy: -4.874
local terms energy: -505.472639
where:
bonds (distance) C4'-P energy: -141.798
bonds (distance) P-C4' energy: -155.192
flat angles C4'-P-C4' energy: -111.442
flat angles P-C4'-P energy: -81.334
tors. eta vs tors. theta energy: -15.707
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: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -924.555424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.555424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.555424 (E_RNA)
where:
Base-Base interactions energy: -426.202
where: short stacking energy: -279.288
Base-Backbone interact. energy: 0.568
local terms energy: -498.922312
where:
bonds (distance) C4'-P energy: -162.022
bonds (distance) P-C4' energy: -138.680
flat angles C4'-P-C4' energy: -119.989
flat angles P-C4'-P energy: -86.613
tors. eta vs tors. theta energy: 8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -792.791793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.791793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.791793 (E_RNA)
where:
Base-Base interactions energy: -333.915
where: short stacking energy: -200.194
Base-Backbone interact. energy: -3.135
local terms energy: -455.741656
where:
bonds (distance) C4'-P energy: -156.600
bonds (distance) P-C4' energy: -155.704
flat angles C4'-P-C4' energy: -97.478
flat angles P-C4'-P energy: -83.227
tors. eta vs tors. theta energy: 37.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2841.057930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.057930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.057930 (E_RNA)
where:
Base-Base interactions energy: -1909.011
where: short stacking energy: -772.728
Base-Backbone interact. energy: -0.729
local terms energy: -931.317105
where:
bonds (distance) C4'-P energy: -195.896
bonds (distance) P-C4' energy: -197.127
flat angles C4'-P-C4' energy: -179.855
flat angles P-C4'-P energy: -142.240
tors. eta vs tors. theta energy: -216.200
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: 65
Temperature: 0.950000
Total energy: -2740.623871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.623871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.623871 (E_RNA)
where:
Base-Base interactions energy: -1845.246
where: short stacking energy: -778.733
Base-Backbone interact. energy: -3.131
local terms energy: -892.246710
where:
bonds (distance) C4'-P energy: -182.604
bonds (distance) P-C4' energy: -166.934
flat angles C4'-P-C4' energy: -191.235
flat angles P-C4'-P energy: -129.345
tors. eta vs tors. theta energy: -222.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2658.398766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.398766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.398766 (E_RNA)
where:
Base-Base interactions energy: -1794.984
where: short stacking energy: -769.616
Base-Backbone interact. energy: -2.708
local terms energy: -860.706652
where:
bonds (distance) C4'-P energy: -154.879
bonds (distance) P-C4' energy: -169.998
flat angles C4'-P-C4' energy: -191.406
flat angles P-C4'-P energy: -122.930
tors. eta vs tors. theta energy: -221.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2379.145426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.145426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.145426 (E_RNA)
where:
Base-Base interactions energy: -1571.861
where: short stacking energy: -699.804
Base-Backbone interact. energy: -2.654
local terms energy: -804.630046
where:
bonds (distance) C4'-P energy: -158.408
bonds (distance) P-C4' energy: -173.647
flat angles C4'-P-C4' energy: -182.073
flat angles P-C4'-P energy: -110.739
tors. eta vs tors. theta energy: -179.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2026.152478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.152478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.152478 (E_RNA)
where:
Base-Base interactions energy: -1300.583
where: short stacking energy: -593.636
Base-Backbone interact. energy: 0.309
local terms energy: -725.878629
where:
bonds (distance) C4'-P energy: -165.986
bonds (distance) P-C4' energy: -141.704
flat angles C4'-P-C4' energy: -169.982
flat angles P-C4'-P energy: -99.333
tors. eta vs tors. theta energy: -148.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1689.007378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.007378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.007378 (E_RNA)
where:
Base-Base interactions energy: -1004.619
where: short stacking energy: -507.523
Base-Backbone interact. energy: -2.522
local terms energy: -681.866854
where:
bonds (distance) C4'-P energy: -153.054
bonds (distance) P-C4' energy: -160.623
flat angles C4'-P-C4' energy: -159.224
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -114.559
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: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1637.958905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.958905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.958905 (E_RNA)
where:
Base-Base interactions energy: -1028.461
where: short stacking energy: -499.971
Base-Backbone interact. energy: -1.699
local terms energy: -607.798961
where:
bonds (distance) C4'-P energy: -130.912
bonds (distance) P-C4' energy: -152.697
flat angles C4'-P-C4' energy: -151.292
flat angles P-C4'-P energy: -78.230
tors. eta vs tors. theta energy: -94.668
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1086.656617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.656617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.656617 (E_RNA)
where:
Base-Base interactions energy: -557.171
where: short stacking energy: -304.867
Base-Backbone interact. energy: 0.266
local terms energy: -529.752279
where:
bonds (distance) C4'-P energy: -164.914
bonds (distance) P-C4' energy: -135.736
flat angles C4'-P-C4' energy: -140.994
flat angles P-C4'-P energy: -88.025
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -852.165103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.165103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.165103 (E_RNA)
where:
Base-Base interactions energy: -397.430
where: short stacking energy: -262.258
Base-Backbone interact. energy: -2.500
local terms energy: -452.235037
where:
bonds (distance) C4'-P energy: -136.238
bonds (distance) P-C4' energy: -135.757
flat angles C4'-P-C4' energy: -134.214
flat angles P-C4'-P energy: -68.242
tors. eta vs tors. theta energy: 22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -840.982121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.982121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.982121 (E_RNA)
where:
Base-Base interactions energy: -358.378
where: short stacking energy: -239.975
Base-Backbone interact. energy: 9.313
local terms energy: -491.917255
where:
bonds (distance) C4'-P energy: -155.824
bonds (distance) P-C4' energy: -158.543
flat angles C4'-P-C4' energy: -117.238
flat angles P-C4'-P energy: -72.275
tors. eta vs tors. theta energy: 11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2898.511187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.511187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.511187 (E_RNA)
where:
Base-Base interactions energy: -1988.773
where: short stacking energy: -808.804
Base-Backbone interact. energy: -5.826
local terms energy: -903.911538
where:
bonds (distance) C4'-P energy: -175.030
bonds (distance) P-C4' energy: -177.945
flat angles C4'-P-C4' energy: -200.722
flat angles P-C4'-P energy: -125.523
tors. eta vs tors. theta energy: -224.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2767.783593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.783593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.783593 (E_RNA)
where:
Base-Base interactions energy: -1863.922
where: short stacking energy: -825.301
Base-Backbone interact. energy: -2.620
local terms energy: -901.242136
where:
bonds (distance) C4'-P energy: -181.874
bonds (distance) P-C4' energy: -190.139
flat angles C4'-P-C4' energy: -175.806
flat angles P-C4'-P energy: -130.851
tors. eta vs tors. theta energy: -222.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2671.266604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.266604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.266604 (E_RNA)
where:
Base-Base interactions energy: -1775.887
where: short stacking energy: -756.141
Base-Backbone interact. energy: -2.732
local terms energy: -892.647643
where:
bonds (distance) C4'-P energy: -159.233
bonds (distance) P-C4' energy: -168.923
flat angles C4'-P-C4' energy: -187.560
flat angles P-C4'-P energy: -143.497
tors. eta vs tors. theta energy: -233.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2370.387659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.387659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.387659 (E_RNA)
where:
Base-Base interactions energy: -1556.848
where: short stacking energy: -710.151
Base-Backbone interact. energy: -2.372
local terms energy: -811.167463
where:
bonds (distance) C4'-P energy: -139.696
bonds (distance) P-C4' energy: -158.194
flat angles C4'-P-C4' energy: -187.218
flat angles P-C4'-P energy: -126.219
tors. eta vs tors. theta energy: -199.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2076.584703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.584703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.584703 (E_RNA)
where:
Base-Base interactions energy: -1311.558
where: short stacking energy: -621.317
Base-Backbone interact. energy: -1.553
local terms energy: -763.473939
where:
bonds (distance) C4'-P energy: -162.732
bonds (distance) P-C4' energy: -162.559
flat angles C4'-P-C4' energy: -176.147
flat angles P-C4'-P energy: -108.649
tors. eta vs tors. theta energy: -153.386
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1721.516177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.516177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.516177 (E_RNA)
where:
Base-Base interactions energy: -1056.070
where: short stacking energy: -561.549
Base-Backbone interact. energy: 3.511
local terms energy: -668.957294
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -148.324
flat angles C4'-P-C4' energy: -151.463
flat angles P-C4'-P energy: -87.682
tors. eta vs tors. theta energy: -140.598
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: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1603.460087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.460087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.460087 (E_RNA)
where:
Base-Base interactions energy: -951.288
where: short stacking energy: -478.187
Base-Backbone interact. energy: -1.196
local terms energy: -650.976498
where:
bonds (distance) C4'-P energy: -154.874
bonds (distance) P-C4' energy: -164.348
flat angles C4'-P-C4' energy: -161.180
flat angles P-C4'-P energy: -84.481
tors. eta vs tors. theta energy: -86.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1157.257821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.257821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.257821 (E_RNA)
where:
Base-Base interactions energy: -567.358
where: short stacking energy: -322.216
Base-Backbone interact. energy: -2.663
local terms energy: -587.236663
where:
bonds (distance) C4'-P energy: -162.620
bonds (distance) P-C4' energy: -170.002
flat angles C4'-P-C4' energy: -148.458
flat angles P-C4'-P energy: -72.390
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -897.384914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.384914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.384914 (E_RNA)
where:
Base-Base interactions energy: -403.932
where: short stacking energy: -236.408
Base-Backbone interact. energy: 3.623
local terms energy: -497.075665
where:
bonds (distance) C4'-P energy: -158.479
bonds (distance) P-C4' energy: -146.741
flat angles C4'-P-C4' energy: -143.618
flat angles P-C4'-P energy: -75.067
tors. eta vs tors. theta energy: 26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -763.789996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.789996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.789996 (E_RNA)
where:
Base-Base interactions energy: -336.202
where: short stacking energy: -246.405
Base-Backbone interact. energy: -2.159
local terms energy: -425.428729
where:
bonds (distance) C4'-P energy: -151.989
bonds (distance) P-C4' energy: -128.696
flat angles C4'-P-C4' energy: -113.261
flat angles P-C4'-P energy: -56.320
tors. eta vs tors. theta energy: 24.836
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: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2884.054375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.054375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.054375 (E_RNA)
where:
Base-Base interactions energy: -1955.696
where: short stacking energy: -804.271
Base-Backbone interact. energy: -3.272
local terms energy: -925.085873
where:
bonds (distance) C4'-P energy: -185.378
bonds (distance) P-C4' energy: -186.330
flat angles C4'-P-C4' energy: -204.494
flat angles P-C4'-P energy: -121.959
tors. eta vs tors. theta energy: -226.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2739.403666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.403666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.403666 (E_RNA)
where:
Base-Base interactions energy: -1827.890
where: short stacking energy: -805.534
Base-Backbone interact. energy: -4.964
local terms energy: -906.550166
where:
bonds (distance) C4'-P energy: -165.422
bonds (distance) P-C4' energy: -165.661
flat angles C4'-P-C4' energy: -195.923
flat angles P-C4'-P energy: -135.196
tors. eta vs tors. theta energy: -244.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2664.431034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.431034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.431034 (E_RNA)
where:
Base-Base interactions energy: -1805.916
where: short stacking energy: -777.613
Base-Backbone interact. energy: -3.973
local terms energy: -854.542373
where:
bonds (distance) C4'-P energy: -160.939
bonds (distance) P-C4' energy: -173.122
flat angles C4'-P-C4' energy: -188.070
flat angles P-C4'-P energy: -128.509
tors. eta vs tors. theta energy: -203.903
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: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2341.317028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.317028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.317028 (E_RNA)
where:
Base-Base interactions energy: -1515.708
where: short stacking energy: -689.838
Base-Backbone interact. energy: 2.399
local terms energy: -828.007637
where:
bonds (distance) C4'-P energy: -159.318
bonds (distance) P-C4' energy: -179.983
flat angles C4'-P-C4' energy: -186.332
flat angles P-C4'-P energy: -107.070
tors. eta vs tors. theta energy: -195.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2105.538021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.538021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.538021 (E_RNA)
where:
Base-Base interactions energy: -1351.375
where: short stacking energy: -591.441
Base-Backbone interact. energy: -1.736
local terms energy: -752.427256
where:
bonds (distance) C4'-P energy: -147.786
bonds (distance) P-C4' energy: -162.163
flat angles C4'-P-C4' energy: -179.199
flat angles P-C4'-P energy: -116.037
tors. eta vs tors. theta energy: -147.242
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: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1678.993688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.993688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.993688 (E_RNA)
where:
Base-Base interactions energy: -987.130
where: short stacking energy: -486.224
Base-Backbone interact. energy: -2.399
local terms energy: -689.464799
where:
bonds (distance) C4'-P energy: -150.253
bonds (distance) P-C4' energy: -149.606
flat angles C4'-P-C4' energy: -154.530
flat angles P-C4'-P energy: -118.962
tors. eta vs tors. theta energy: -116.114
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: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1615.195758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.195758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.195758 (E_RNA)
where:
Base-Base interactions energy: -991.317
where: short stacking energy: -456.448
Base-Backbone interact. energy: 3.123
local terms energy: -627.002343
where:
bonds (distance) C4'-P energy: -144.670
bonds (distance) P-C4' energy: -149.398
flat angles C4'-P-C4' energy: -144.122
flat angles P-C4'-P energy: -98.614
tors. eta vs tors. theta energy: -90.200
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: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1128.763213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.763213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.763213 (E_RNA)
where:
Base-Base interactions energy: -579.360
where: short stacking energy: -289.567
Base-Backbone interact. energy: -1.908
local terms energy: -547.494871
where:
bonds (distance) C4'-P energy: -120.464
bonds (distance) P-C4' energy: -178.508
flat angles C4'-P-C4' energy: -138.294
flat angles P-C4'-P energy: -88.827
tors. eta vs tors. theta energy: -21.402
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: 67
Temperature: 1.300000
Total energy: -1010.159802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.159802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.159802 (E_RNA)
where:
Base-Base interactions energy: -529.856
where: short stacking energy: -314.455
Base-Backbone interact. energy: -2.001
local terms energy: -478.302132
where:
bonds (distance) C4'-P energy: -114.294
bonds (distance) P-C4' energy: -138.160
flat angles C4'-P-C4' energy: -148.921
flat angles P-C4'-P energy: -75.722
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -770.994976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.994976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.994976 (E_RNA)
where:
Base-Base interactions energy: -316.820
where: short stacking energy: -232.014
Base-Backbone interact. energy: 5.780
local terms energy: -459.954957
where:
bonds (distance) C4'-P energy: -129.919
bonds (distance) P-C4' energy: -131.679
flat angles C4'-P-C4' energy: -115.020
flat angles P-C4'-P energy: -85.268
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2882.223534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.223534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.223534 (E_RNA)
where:
Base-Base interactions energy: -1951.500
where: short stacking energy: -808.858
Base-Backbone interact. energy: -1.643
local terms energy: -929.080892
where:
bonds (distance) C4'-P energy: -168.444
bonds (distance) P-C4' energy: -183.805
flat angles C4'-P-C4' energy: -205.298
flat angles P-C4'-P energy: -144.956
tors. eta vs tors. theta energy: -226.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2766.906235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.906235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.906235 (E_RNA)
where:
Base-Base interactions energy: -1876.264
where: short stacking energy: -822.538
Base-Backbone interact. energy: -5.687
local terms energy: -884.955303
where:
bonds (distance) C4'-P energy: -180.983
bonds (distance) P-C4' energy: -167.724
flat angles C4'-P-C4' energy: -197.275
flat angles P-C4'-P energy: -115.464
tors. eta vs tors. theta energy: -223.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2661.763506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.763506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.763506 (E_RNA)
where:
Base-Base interactions energy: -1795.958
where: short stacking energy: -772.883
Base-Backbone interact. energy: -3.876
local terms energy: -861.929491
where:
bonds (distance) C4'-P energy: -164.749
bonds (distance) P-C4' energy: -192.399
flat angles C4'-P-C4' energy: -178.828
flat angles P-C4'-P energy: -120.721
tors. eta vs tors. theta energy: -205.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2324.570575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.570575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.570575 (E_RNA)
where:
Base-Base interactions energy: -1502.535
where: short stacking energy: -688.735
Base-Backbone interact. energy: -5.569
local terms energy: -816.466280
where:
bonds (distance) C4'-P energy: -152.190
bonds (distance) P-C4' energy: -165.963
flat angles C4'-P-C4' energy: -180.472
flat angles P-C4'-P energy: -125.847
tors. eta vs tors. theta energy: -191.994
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: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2089.469098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.469098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.469098 (E_RNA)
where:
Base-Base interactions energy: -1338.170
where: short stacking energy: -623.150
Base-Backbone interact. energy: 5.527
local terms energy: -756.825636
where:
bonds (distance) C4'-P energy: -164.670
bonds (distance) P-C4' energy: -172.069
flat angles C4'-P-C4' energy: -162.840
flat angles P-C4'-P energy: -111.341
tors. eta vs tors. theta energy: -145.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1695.448122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.448122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.448122 (E_RNA)
where:
Base-Base interactions energy: -990.772
where: short stacking energy: -542.733
Base-Backbone interact. energy: -0.352
local terms energy: -704.324751
where:
bonds (distance) C4'-P energy: -160.885
bonds (distance) P-C4' energy: -162.232
flat angles C4'-P-C4' energy: -145.281
flat angles P-C4'-P energy: -99.609
tors. eta vs tors. theta energy: -136.317
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: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1619.244550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.244550 (E_RNA)
where:
Base-Base interactions energy: -982.126
where: short stacking energy: -489.697
Base-Backbone interact. energy: -0.495
local terms energy: -636.622917
where:
bonds (distance) C4'-P energy: -161.184
bonds (distance) P-C4' energy: -124.690
flat angles C4'-P-C4' energy: -147.237
flat angles P-C4'-P energy: -95.143
tors. eta vs tors. theta energy: -108.370
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: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1218.838007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.838007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.838007 (E_RNA)
where:
Base-Base interactions energy: -652.656
where: short stacking energy: -349.103
Base-Backbone interact. energy: 3.386
local terms energy: -569.568002
where:
bonds (distance) C4'-P energy: -143.496
bonds (distance) P-C4' energy: -162.167
flat angles C4'-P-C4' energy: -125.146
flat angles P-C4'-P energy: -108.427
tors. eta vs tors. theta energy: -30.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1012.458304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.458304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.458304 (E_RNA)
where:
Base-Base interactions energy: -503.360
where: short stacking energy: -270.133
Base-Backbone interact. energy: 4.569
local terms energy: -513.667590
where:
bonds (distance) C4'-P energy: -132.491
bonds (distance) P-C4' energy: -173.925
flat angles C4'-P-C4' energy: -126.141
flat angles P-C4'-P energy: -91.383
tors. eta vs tors. theta energy: 10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -763.811905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.811905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.811905 (E_RNA)
where:
Base-Base interactions energy: -304.574
where: short stacking energy: -218.207
Base-Backbone interact. energy: -3.053
local terms energy: -456.184989
where:
bonds (distance) C4'-P energy: -133.638
bonds (distance) P-C4' energy: -150.175
flat angles C4'-P-C4' energy: -120.876
flat angles P-C4'-P energy: -82.730
tors. eta vs tors. theta energy: 31.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2893.721686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.721686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.721686 (E_RNA)
where:
Base-Base interactions energy: -1974.678
where: short stacking energy: -820.279
Base-Backbone interact. energy: 2.530
local terms energy: -921.573125
where:
bonds (distance) C4'-P energy: -172.524
bonds (distance) P-C4' energy: -179.049
flat angles C4'-P-C4' energy: -207.800
flat angles P-C4'-P energy: -123.397
tors. eta vs tors. theta energy: -238.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2729.694317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.694317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.694317 (E_RNA)
where:
Base-Base interactions energy: -1836.546
where: short stacking energy: -807.654
Base-Backbone interact. energy: -4.202
local terms energy: -888.945750
where:
bonds (distance) C4'-P energy: -168.224
bonds (distance) P-C4' energy: -167.239
flat angles C4'-P-C4' energy: -198.955
flat angles P-C4'-P energy: -132.128
tors. eta vs tors. theta energy: -222.399
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: 69
Temperature: 1.000000
Total energy: -2750.821864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.821864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.821864 (E_RNA)
where:
Base-Base interactions energy: -1855.811
where: short stacking energy: -830.778
Base-Backbone interact. energy: -1.419
local terms energy: -893.592118
where:
bonds (distance) C4'-P energy: -166.158
bonds (distance) P-C4' energy: -157.974
flat angles C4'-P-C4' energy: -191.960
flat angles P-C4'-P energy: -130.537
tors. eta vs tors. theta energy: -246.963
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: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2202.606618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.606618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.606618 (E_RNA)
where:
Base-Base interactions energy: -1415.443
where: short stacking energy: -658.066
Base-Backbone interact. energy: -5.354
local terms energy: -781.809924
where:
bonds (distance) C4'-P energy: -172.223
bonds (distance) P-C4' energy: -164.221
flat angles C4'-P-C4' energy: -173.986
flat angles P-C4'-P energy: -124.795
tors. eta vs tors. theta energy: -146.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2226.169563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.169563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.169563 (E_RNA)
where:
Base-Base interactions energy: -1457.695
where: short stacking energy: -671.483
Base-Backbone interact. energy: -0.291
local terms energy: -768.184012
where:
bonds (distance) C4'-P energy: -149.875
bonds (distance) P-C4' energy: -154.597
flat angles C4'-P-C4' energy: -181.285
flat angles P-C4'-P energy: -110.396
tors. eta vs tors. theta energy: -172.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1728.485607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.485607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.485607 (E_RNA)
where:
Base-Base interactions energy: -1014.137
where: short stacking energy: -488.462
Base-Backbone interact. energy: -2.515
local terms energy: -711.834476
where:
bonds (distance) C4'-P energy: -169.110
bonds (distance) P-C4' energy: -148.723
flat angles C4'-P-C4' energy: -156.952
flat angles P-C4'-P energy: -114.934
tors. eta vs tors. theta energy: -122.116
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: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1640.063077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.063077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.063077 (E_RNA)
where:
Base-Base interactions energy: -993.391
where: short stacking energy: -463.411
Base-Backbone interact. energy: 10.524
local terms energy: -657.195610
where:
bonds (distance) C4'-P energy: -140.844
bonds (distance) P-C4' energy: -162.715
flat angles C4'-P-C4' energy: -164.162
flat angles P-C4'-P energy: -111.872
tors. eta vs tors. theta energy: -77.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1182.926602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.926602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.926602 (E_RNA)
where:
Base-Base interactions energy: -613.250
where: short stacking energy: -353.288
Base-Backbone interact. energy: 5.049
local terms energy: -574.725636
where:
bonds (distance) C4'-P energy: -148.326
bonds (distance) P-C4' energy: -145.309
flat angles C4'-P-C4' energy: -156.551
flat angles P-C4'-P energy: -87.061
tors. eta vs tors. theta energy: -37.478
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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -981.234925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.234925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.234925 (E_RNA)
where:
Base-Base interactions energy: -496.439
where: short stacking energy: -301.576
Base-Backbone interact. energy: 1.585
local terms energy: -486.381398
where:
bonds (distance) C4'-P energy: -146.310
bonds (distance) P-C4' energy: -150.355
flat angles C4'-P-C4' energy: -108.507
flat angles P-C4'-P energy: -84.216
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -678.212740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.212740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.212740 (E_RNA)
where:
Base-Base interactions energy: -243.785
where: short stacking energy: -178.949
Base-Backbone interact. energy: 3.609
local terms energy: -438.037493
where:
bonds (distance) C4'-P energy: -132.043
bonds (distance) P-C4' energy: -158.086
flat angles C4'-P-C4' energy: -110.779
flat angles P-C4'-P energy: -78.938
tors. eta vs tors. theta energy: 41.810
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: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2914.587680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.587680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.587680 (E_RNA)
where:
Base-Base interactions energy: -1988.628
where: short stacking energy: -856.411
Base-Backbone interact. energy: -5.046
local terms energy: -920.913981
where:
bonds (distance) C4'-P energy: -174.413
bonds (distance) P-C4' energy: -176.368
flat angles C4'-P-C4' energy: -194.033
flat angles P-C4'-P energy: -135.864
tors. eta vs tors. theta energy: -240.237
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2755.230133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.230133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.230133 (E_RNA)
where:
Base-Base interactions energy: -1859.058
where: short stacking energy: -801.582
Base-Backbone interact. energy: -4.263
local terms energy: -891.909198
where:
bonds (distance) C4'-P energy: -179.008
bonds (distance) P-C4' energy: -170.527
flat angles C4'-P-C4' energy: -184.747
flat angles P-C4'-P energy: -149.729
tors. eta vs tors. theta energy: -207.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2735.546507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.546507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.546507 (E_RNA)
where:
Base-Base interactions energy: -1835.030
where: short stacking energy: -771.245
Base-Backbone interact. energy: -5.893
local terms energy: -894.623883
where:
bonds (distance) C4'-P energy: -161.697
bonds (distance) P-C4' energy: -172.509
flat angles C4'-P-C4' energy: -205.094
flat angles P-C4'-P energy: -129.111
tors. eta vs tors. theta energy: -226.212
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: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2256.533367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.533367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.533367 (E_RNA)
where:
Base-Base interactions energy: -1470.638
where: short stacking energy: -663.290
Base-Backbone interact. energy: 2.821
local terms energy: -788.716134
where:
bonds (distance) C4'-P energy: -171.539
bonds (distance) P-C4' energy: -167.240
flat angles C4'-P-C4' energy: -167.062
flat angles P-C4'-P energy: -121.879
tors. eta vs tors. theta energy: -160.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2104.623708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.623708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.623708 (E_RNA)
where:
Base-Base interactions energy: -1344.509
where: short stacking energy: -624.398
Base-Backbone interact. energy: -3.622
local terms energy: -756.492946
where:
bonds (distance) C4'-P energy: -134.541
bonds (distance) P-C4' energy: -186.858
flat angles C4'-P-C4' energy: -162.159
flat angles P-C4'-P energy: -116.556
tors. eta vs tors. theta energy: -156.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1786.038652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.038652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.038652 (E_RNA)
where:
Base-Base interactions energy: -1143.190
where: short stacking energy: -541.854
Base-Backbone interact. energy: -5.976
local terms energy: -636.872542
where:
bonds (distance) C4'-P energy: -144.376
bonds (distance) P-C4' energy: -153.474
flat angles C4'-P-C4' energy: -144.488
flat angles P-C4'-P energy: -86.738
tors. eta vs tors. theta energy: -107.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1598.461556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.461556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.461556 (E_RNA)
where:
Base-Base interactions energy: -958.304
where: short stacking energy: -445.984
Base-Backbone interact. energy: 1.427
local terms energy: -641.585005
where:
bonds (distance) C4'-P energy: -163.152
bonds (distance) P-C4' energy: -152.587
flat angles C4'-P-C4' energy: -161.398
flat angles P-C4'-P energy: -89.745
tors. eta vs tors. theta energy: -74.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1205.264109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.264109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.264109 (E_RNA)
where:
Base-Base interactions energy: -664.402
where: short stacking energy: -317.990
Base-Backbone interact. energy: 3.550
local terms energy: -544.412526
where:
bonds (distance) C4'-P energy: -146.729
bonds (distance) P-C4' energy: -170.816
flat angles C4'-P-C4' energy: -131.740
flat angles P-C4'-P energy: -74.992
tors. eta vs tors. theta energy: -20.135
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: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -934.618862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.618862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.618862 (E_RNA)
where:
Base-Base interactions energy: -440.309
where: short stacking energy: -296.371
Base-Backbone interact. energy: 1.367
local terms energy: -495.677380
where:
bonds (distance) C4'-P energy: -142.710
bonds (distance) P-C4' energy: -157.963
flat angles C4'-P-C4' energy: -129.412
flat angles P-C4'-P energy: -56.962
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -724.290103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.290103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.290103 (E_RNA)
where:
Base-Base interactions energy: -260.635
where: short stacking energy: -201.482
Base-Backbone interact. energy: -0.088
local terms energy: -463.566895
where:
bonds (distance) C4'-P energy: -135.880
bonds (distance) P-C4' energy: -145.087
flat angles C4'-P-C4' energy: -115.451
flat angles P-C4'-P energy: -78.210
tors. eta vs tors. theta energy: 11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2904.080643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.080643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.080643 (E_RNA)
where:
Base-Base interactions energy: -1954.455
where: short stacking energy: -822.399
Base-Backbone interact. energy: -3.605
local terms energy: -946.020980
where:
bonds (distance) C4'-P energy: -197.700
bonds (distance) P-C4' energy: -169.578
flat angles C4'-P-C4' energy: -206.190
flat angles P-C4'-P energy: -137.807
tors. eta vs tors. theta energy: -234.747
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: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2742.988562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.988562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.988562 (E_RNA)
where:
Base-Base interactions energy: -1844.676
where: short stacking energy: -812.298
Base-Backbone interact. energy: -4.251
local terms energy: -894.061353
where:
bonds (distance) C4'-P energy: -173.879
bonds (distance) P-C4' energy: -179.569
flat angles C4'-P-C4' energy: -193.040
flat angles P-C4'-P energy: -128.370
tors. eta vs tors. theta energy: -219.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2728.365332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.365332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.365332 (E_RNA)
where:
Base-Base interactions energy: -1854.356
where: short stacking energy: -776.497
Base-Backbone interact. energy: 0.165
local terms energy: -874.174418
where:
bonds (distance) C4'-P energy: -159.953
bonds (distance) P-C4' energy: -156.355
flat angles C4'-P-C4' energy: -199.060
flat angles P-C4'-P energy: -118.099
tors. eta vs tors. theta energy: -240.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2198.573521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.573521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.573521 (E_RNA)
where:
Base-Base interactions energy: -1434.345
where: short stacking energy: -643.291
Base-Backbone interact. energy: -4.334
local terms energy: -759.894493
where:
bonds (distance) C4'-P energy: -162.798
bonds (distance) P-C4' energy: -164.200
flat angles C4'-P-C4' energy: -179.040
flat angles P-C4'-P energy: -96.243
tors. eta vs tors. theta energy: -157.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2097.825640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.825640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.825640 (E_RNA)
where:
Base-Base interactions energy: -1338.458
where: short stacking energy: -623.760
Base-Backbone interact. energy: -2.717
local terms energy: -756.650459
where:
bonds (distance) C4'-P energy: -137.752
bonds (distance) P-C4' energy: -182.671
flat angles C4'-P-C4' energy: -182.781
flat angles P-C4'-P energy: -86.051
tors. eta vs tors. theta energy: -167.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1861.313392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.313392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.313392 (E_RNA)
where:
Base-Base interactions energy: -1129.330
where: short stacking energy: -534.696
Base-Backbone interact. energy: -2.420
local terms energy: -729.562807
where:
bonds (distance) C4'-P energy: -160.898
bonds (distance) P-C4' energy: -176.126
flat angles C4'-P-C4' energy: -153.647
flat angles P-C4'-P energy: -105.984
tors. eta vs tors. theta energy: -132.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1690.005654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.005654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.005654 (E_RNA)
where:
Base-Base interactions energy: -1044.736
where: short stacking energy: -476.952
Base-Backbone interact. energy: -0.105
local terms energy: -645.164944
where:
bonds (distance) C4'-P energy: -142.631
bonds (distance) P-C4' energy: -147.616
flat angles C4'-P-C4' energy: -166.620
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -98.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1198.662564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.662564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.662564 (E_RNA)
where:
Base-Base interactions energy: -694.982
where: short stacking energy: -328.960
Base-Backbone interact. energy: -1.681
local terms energy: -502.000011
where:
bonds (distance) C4'-P energy: -142.597
bonds (distance) P-C4' energy: -162.238
flat angles C4'-P-C4' energy: -123.497
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -912.043255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.043255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.043255 (E_RNA)
where:
Base-Base interactions energy: -410.561
where: short stacking energy: -259.307
Base-Backbone interact. energy: 5.997
local terms energy: -507.479602
where:
bonds (distance) C4'-P energy: -135.468
bonds (distance) P-C4' energy: -159.804
flat angles C4'-P-C4' energy: -126.811
flat angles P-C4'-P energy: -88.254
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -743.824635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.824635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.824635 (E_RNA)
where:
Base-Base interactions energy: -282.200
where: short stacking energy: -197.701
Base-Backbone interact. energy: 0.950
local terms energy: -462.574719
where:
bonds (distance) C4'-P energy: -154.173
bonds (distance) P-C4' energy: -154.254
flat angles C4'-P-C4' energy: -129.397
flat angles P-C4'-P energy: -52.260
tors. eta vs tors. theta energy: 27.508
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: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2919.753100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.753100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.753100 (E_RNA)
where:
Base-Base interactions energy: -1994.054
where: short stacking energy: -837.013
Base-Backbone interact. energy: -3.272
local terms energy: -922.427529
where:
bonds (distance) C4'-P energy: -169.491
bonds (distance) P-C4' energy: -193.210
flat angles C4'-P-C4' energy: -195.371
flat angles P-C4'-P energy: -132.817
tors. eta vs tors. theta energy: -231.539
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2766.473669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.473669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.473669 (E_RNA)
where:
Base-Base interactions energy: -1852.722
where: short stacking energy: -824.206
Base-Backbone interact. energy: -2.480
local terms energy: -911.271500
where:
bonds (distance) C4'-P energy: -178.244
bonds (distance) P-C4' energy: -181.420
flat angles C4'-P-C4' energy: -192.368
flat angles P-C4'-P energy: -130.289
tors. eta vs tors. theta energy: -228.951
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: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2714.244806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.244806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.244806 (E_RNA)
where:
Base-Base interactions energy: -1858.948
where: short stacking energy: -791.123
Base-Backbone interact. energy: -3.686
local terms energy: -851.611398
where:
bonds (distance) C4'-P energy: -157.915
bonds (distance) P-C4' energy: -156.458
flat angles C4'-P-C4' energy: -193.089
flat angles P-C4'-P energy: -119.347
tors. eta vs tors. theta energy: -224.802
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: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2331.197294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.197294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.197294 (E_RNA)
where:
Base-Base interactions energy: -1536.321
where: short stacking energy: -689.236
Base-Backbone interact. energy: -4.624
local terms energy: -790.252558
where:
bonds (distance) C4'-P energy: -160.623
bonds (distance) P-C4' energy: -145.814
flat angles C4'-P-C4' energy: -181.143
flat angles P-C4'-P energy: -120.979
tors. eta vs tors. theta energy: -181.693
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: 72
Temperature: 1.100000
Total energy: -2120.953378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.953378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.953378 (E_RNA)
where:
Base-Base interactions energy: -1364.377
where: short stacking energy: -637.428
Base-Backbone interact. energy: -1.649
local terms energy: -754.927562
where:
bonds (distance) C4'-P energy: -168.155
bonds (distance) P-C4' energy: -160.173
flat angles C4'-P-C4' energy: -163.057
flat angles P-C4'-P energy: -95.212
tors. eta vs tors. theta energy: -168.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1844.875670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.875670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.875670 (E_RNA)
where:
Base-Base interactions energy: -1155.297
where: short stacking energy: -572.474
Base-Backbone interact. energy: -0.465
local terms energy: -689.113299
where:
bonds (distance) C4'-P energy: -145.328
bonds (distance) P-C4' energy: -158.090
flat angles C4'-P-C4' energy: -160.674
flat angles P-C4'-P energy: -83.648
tors. eta vs tors. theta energy: -141.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1710.858959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.858959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.858959 (E_RNA)
where:
Base-Base interactions energy: -1062.823
where: short stacking energy: -493.197
Base-Backbone interact. energy: -5.332
local terms energy: -642.703980
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -142.684
flat angles C4'-P-C4' energy: -151.124
flat angles P-C4'-P energy: -107.393
tors. eta vs tors. theta energy: -106.056
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: 72
Temperature: 1.250000
Total energy: -1225.205132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.205132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.205132 (E_RNA)
where:
Base-Base interactions energy: -674.242
where: short stacking energy: -372.656
Base-Backbone interact. energy: -1.608
local terms energy: -549.355100
where:
bonds (distance) C4'-P energy: -155.723
bonds (distance) P-C4' energy: -151.859
flat angles C4'-P-C4' energy: -145.220
flat angles P-C4'-P energy: -71.023
tors. eta vs tors. theta energy: -25.531
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -947.867233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.867233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.867233 (E_RNA)
where:
Base-Base interactions energy: -456.203
where: short stacking energy: -268.652
Base-Backbone interact. energy: -1.298
local terms energy: -490.365943
where:
bonds (distance) C4'-P energy: -140.289
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -122.289
flat angles P-C4'-P energy: -95.703
tors. eta vs tors. theta energy: 4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -784.089714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.089714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.089714 (E_RNA)
where:
Base-Base interactions energy: -315.386
where: short stacking energy: -186.407
Base-Backbone interact. energy: -0.130
local terms energy: -468.573713
where:
bonds (distance) C4'-P energy: -151.241
bonds (distance) P-C4' energy: -164.214
flat angles C4'-P-C4' energy: -122.728
flat angles P-C4'-P energy: -55.981
tors. eta vs tors. theta energy: 25.590
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: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2921.008472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.008472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.008472 (E_RNA)
where:
Base-Base interactions energy: -1979.936
where: short stacking energy: -813.274
Base-Backbone interact. energy: -0.174
local terms energy: -940.899141
where:
bonds (distance) C4'-P energy: -178.688
bonds (distance) P-C4' energy: -184.312
flat angles C4'-P-C4' energy: -207.160
flat angles P-C4'-P energy: -129.392
tors. eta vs tors. theta energy: -241.348
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: 73
Temperature: 0.950000
Total energy: -2709.360420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.360420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.360420 (E_RNA)
where:
Base-Base interactions energy: -1835.307
where: short stacking energy: -785.288
Base-Backbone interact. energy: -3.816
local terms energy: -870.237355
where:
bonds (distance) C4'-P energy: -164.994
bonds (distance) P-C4' energy: -177.309
flat angles C4'-P-C4' energy: -184.546
flat angles P-C4'-P energy: -130.495
tors. eta vs tors. theta energy: -212.894
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: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2698.208753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.208753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.208753 (E_RNA)
where:
Base-Base interactions energy: -1804.128
where: short stacking energy: -780.701
Base-Backbone interact. energy: -6.022
local terms energy: -888.058011
where:
bonds (distance) C4'-P energy: -177.648
bonds (distance) P-C4' energy: -184.539
flat angles C4'-P-C4' energy: -180.343
flat angles P-C4'-P energy: -122.562
tors. eta vs tors. theta energy: -222.966
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: 73
Temperature: 1.050000
Total energy: -2346.422742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.422742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.422742 (E_RNA)
where:
Base-Base interactions energy: -1530.729
where: short stacking energy: -678.100
Base-Backbone interact. energy: -1.535
local terms energy: -814.159349
where:
bonds (distance) C4'-P energy: -161.580
bonds (distance) P-C4' energy: -160.152
flat angles C4'-P-C4' energy: -190.248
flat angles P-C4'-P energy: -117.984
tors. eta vs tors. theta energy: -184.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2196.294210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.294210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.294210 (E_RNA)
where:
Base-Base interactions energy: -1414.929
where: short stacking energy: -655.229
Base-Backbone interact. energy: -1.180
local terms energy: -780.185396
where:
bonds (distance) C4'-P energy: -152.313
bonds (distance) P-C4' energy: -179.058
flat angles C4'-P-C4' energy: -187.668
flat angles P-C4'-P energy: -96.349
tors. eta vs tors. theta energy: -164.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1843.113653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.113653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.113653 (E_RNA)
where:
Base-Base interactions energy: -1097.880
where: short stacking energy: -527.456
Base-Backbone interact. energy: 0.193
local terms energy: -745.427350
where:
bonds (distance) C4'-P energy: -151.221
bonds (distance) P-C4' energy: -164.409
flat angles C4'-P-C4' energy: -183.756
flat angles P-C4'-P energy: -101.922
tors. eta vs tors. theta energy: -144.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1690.323140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.323140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.323140 (E_RNA)
where:
Base-Base interactions energy: -1021.915
where: short stacking energy: -473.767
Base-Backbone interact. energy: 0.393
local terms energy: -668.801564
where:
bonds (distance) C4'-P energy: -172.752
bonds (distance) P-C4' energy: -146.795
flat angles C4'-P-C4' energy: -141.408
flat angles P-C4'-P energy: -117.245
tors. eta vs tors. theta energy: -90.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1216.609770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.609770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.609770 (E_RNA)
where:
Base-Base interactions energy: -685.355
where: short stacking energy: -361.011
Base-Backbone interact. energy: -2.574
local terms energy: -528.680131
where:
bonds (distance) C4'-P energy: -149.978
bonds (distance) P-C4' energy: -130.474
flat angles C4'-P-C4' energy: -144.710
flat angles P-C4'-P energy: -81.061
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -831.249567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.249567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.249567 (E_RNA)
where:
Base-Base interactions energy: -339.854
where: short stacking energy: -257.293
Base-Backbone interact. energy: 4.338
local terms energy: -495.733757
where:
bonds (distance) C4'-P energy: -145.881
bonds (distance) P-C4' energy: -162.344
flat angles C4'-P-C4' energy: -143.790
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: 12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -773.013183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.013183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.013183 (E_RNA)
where:
Base-Base interactions energy: -318.438
where: short stacking energy: -201.034
Base-Backbone interact. energy: 0.013
local terms energy: -454.587923
where:
bonds (distance) C4'-P energy: -143.086
bonds (distance) P-C4' energy: -147.660
flat angles C4'-P-C4' energy: -152.613
flat angles P-C4'-P energy: -74.940
tors. eta vs tors. theta energy: 63.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2942.178422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.178422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.178422 (E_RNA)
where:
Base-Base interactions energy: -1992.885
where: short stacking energy: -863.807
Base-Backbone interact. energy: 2.432
local terms energy: -951.726027
where:
bonds (distance) C4'-P energy: -183.361
bonds (distance) P-C4' energy: -188.166
flat angles C4'-P-C4' energy: -208.084
flat angles P-C4'-P energy: -130.304
tors. eta vs tors. theta energy: -241.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2724.747279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.747279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.747279 (E_RNA)
where:
Base-Base interactions energy: -1842.451
where: short stacking energy: -777.798
Base-Backbone interact. energy: -3.321
local terms energy: -878.976228
where:
bonds (distance) C4'-P energy: -170.375
bonds (distance) P-C4' energy: -178.603
flat angles C4'-P-C4' energy: -189.643
flat angles P-C4'-P energy: -120.150
tors. eta vs tors. theta energy: -220.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2684.148044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.148044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.148044 (E_RNA)
where:
Base-Base interactions energy: -1784.370
where: short stacking energy: -756.105
Base-Backbone interact. energy: -4.088
local terms energy: -895.689508
where:
bonds (distance) C4'-P energy: -171.660
bonds (distance) P-C4' energy: -179.763
flat angles C4'-P-C4' energy: -208.142
flat angles P-C4'-P energy: -105.986
tors. eta vs tors. theta energy: -230.139
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2331.583505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.583505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.583505 (E_RNA)
where:
Base-Base interactions energy: -1521.648
where: short stacking energy: -673.798
Base-Backbone interact. energy: 3.147
local terms energy: -813.081732
where:
bonds (distance) C4'-P energy: -171.963
bonds (distance) P-C4' energy: -173.916
flat angles C4'-P-C4' energy: -182.745
flat angles P-C4'-P energy: -105.406
tors. eta vs tors. theta energy: -179.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2098.339399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.339399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.339399 (E_RNA)
where:
Base-Base interactions energy: -1330.673
where: short stacking energy: -639.148
Base-Backbone interact. energy: -0.337
local terms energy: -767.329875
where:
bonds (distance) C4'-P energy: -164.296
bonds (distance) P-C4' energy: -179.970
flat angles C4'-P-C4' energy: -168.370
flat angles P-C4'-P energy: -114.616
tors. eta vs tors. theta energy: -140.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1902.314129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.314129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.314129 (E_RNA)
where:
Base-Base interactions energy: -1170.326
where: short stacking energy: -549.734
Base-Backbone interact. energy: -0.939
local terms energy: -731.048865
where:
bonds (distance) C4'-P energy: -145.985
bonds (distance) P-C4' energy: -168.106
flat angles C4'-P-C4' energy: -168.741
flat angles P-C4'-P energy: -100.245
tors. eta vs tors. theta energy: -147.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1670.678395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.678395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.678395 (E_RNA)
where:
Base-Base interactions energy: -1012.323
where: short stacking energy: -503.837
Base-Backbone interact. energy: -1.036
local terms energy: -657.319508
where:
bonds (distance) C4'-P energy: -151.202
bonds (distance) P-C4' energy: -163.926
flat angles C4'-P-C4' energy: -160.048
flat angles P-C4'-P energy: -95.772
tors. eta vs tors. theta energy: -86.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1289.201898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.201898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.201898 (E_RNA)
where:
Base-Base interactions energy: -731.740
where: short stacking energy: -349.223
Base-Backbone interact. energy: -0.647
local terms energy: -556.815784
where:
bonds (distance) C4'-P energy: -154.928
bonds (distance) P-C4' energy: -161.066
flat angles C4'-P-C4' energy: -143.290
flat angles P-C4'-P energy: -71.674
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -886.570402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.570402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.570402 (E_RNA)
where:
Base-Base interactions energy: -414.975
where: short stacking energy: -267.362
Base-Backbone interact. energy: 0.383
local terms energy: -471.977898
where:
bonds (distance) C4'-P energy: -143.257
bonds (distance) P-C4' energy: -159.587
flat angles C4'-P-C4' energy: -121.274
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: 20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -788.142694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.142694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.142694 (E_RNA)
where:
Base-Base interactions energy: -346.320
where: short stacking energy: -198.959
Base-Backbone interact. energy: 3.664
local terms energy: -445.486513
where:
bonds (distance) C4'-P energy: -151.669
bonds (distance) P-C4' energy: -143.328
flat angles C4'-P-C4' energy: -91.481
flat angles P-C4'-P energy: -73.767
tors. eta vs tors. theta energy: 14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2911.957643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.957643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.957643 (E_RNA)
where:
Base-Base interactions energy: -1953.839
where: short stacking energy: -819.550
Base-Backbone interact. energy: 6.009
local terms energy: -964.127874
where:
bonds (distance) C4'-P energy: -179.522
bonds (distance) P-C4' energy: -186.858
flat angles C4'-P-C4' energy: -219.630
flat angles P-C4'-P energy: -131.656
tors. eta vs tors. theta energy: -246.461
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2771.103889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.103889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.103889 (E_RNA)
where:
Base-Base interactions energy: -1871.622
where: short stacking energy: -834.090
Base-Backbone interact. energy: -1.435
local terms energy: -898.046573
where:
bonds (distance) C4'-P energy: -176.464
bonds (distance) P-C4' energy: -163.070
flat angles C4'-P-C4' energy: -199.613
flat angles P-C4'-P energy: -115.883
tors. eta vs tors. theta energy: -243.017
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: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2740.868397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.868397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.868397 (E_RNA)
where:
Base-Base interactions energy: -1855.505
where: short stacking energy: -808.216
Base-Backbone interact. energy: -2.032
local terms energy: -883.331973
where:
bonds (distance) C4'-P energy: -153.596
bonds (distance) P-C4' energy: -175.070
flat angles C4'-P-C4' energy: -191.339
flat angles P-C4'-P energy: -133.535
tors. eta vs tors. theta energy: -229.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2324.287853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.287853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.287853 (E_RNA)
where:
Base-Base interactions energy: -1500.485
where: short stacking energy: -675.879
Base-Backbone interact. energy: -1.746
local terms energy: -822.057248
where:
bonds (distance) C4'-P energy: -159.581
bonds (distance) P-C4' energy: -191.752
flat angles C4'-P-C4' energy: -181.945
flat angles P-C4'-P energy: -112.636
tors. eta vs tors. theta energy: -176.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2070.424735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.424735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.424735 (E_RNA)
where:
Base-Base interactions energy: -1310.462
where: short stacking energy: -604.612
Base-Backbone interact. energy: -1.935
local terms energy: -758.027806
where:
bonds (distance) C4'-P energy: -158.490
bonds (distance) P-C4' energy: -144.193
flat angles C4'-P-C4' energy: -164.640
flat angles P-C4'-P energy: -128.988
tors. eta vs tors. theta energy: -161.718
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: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1933.680888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.680888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.680888 (E_RNA)
where:
Base-Base interactions energy: -1217.650
where: short stacking energy: -526.650
Base-Backbone interact. energy: -2.752
local terms energy: -713.278562
where:
bonds (distance) C4'-P energy: -156.102
bonds (distance) P-C4' energy: -156.839
flat angles C4'-P-C4' energy: -163.925
flat angles P-C4'-P energy: -84.568
tors. eta vs tors. theta energy: -151.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1700.051377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.051377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.051377 (E_RNA)
where:
Base-Base interactions energy: -1030.153
where: short stacking energy: -475.239
Base-Backbone interact. energy: -1.270
local terms energy: -668.629191
where:
bonds (distance) C4'-P energy: -143.954
bonds (distance) P-C4' energy: -174.382
flat angles C4'-P-C4' energy: -159.032
flat angles P-C4'-P energy: -97.337
tors. eta vs tors. theta energy: -93.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1288.703201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.703201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.703201 (E_RNA)
where:
Base-Base interactions energy: -746.276
where: short stacking energy: -350.454
Base-Backbone interact. energy: 8.982
local terms energy: -551.409021
where:
bonds (distance) C4'-P energy: -148.544
bonds (distance) P-C4' energy: -170.612
flat angles C4'-P-C4' energy: -129.430
flat angles P-C4'-P energy: -67.497
tors. eta vs tors. theta energy: -35.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -927.435081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.435081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.435081 (E_RNA)
where:
Base-Base interactions energy: -413.646
where: short stacking energy: -266.108
Base-Backbone interact. energy: -2.472
local terms energy: -511.316747
where:
bonds (distance) C4'-P energy: -134.889
bonds (distance) P-C4' energy: -157.834
flat angles C4'-P-C4' energy: -138.311
flat angles P-C4'-P energy: -83.922
tors. eta vs tors. theta energy: 3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -729.185777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.185777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.185777 (E_RNA)
where:
Base-Base interactions energy: -317.408
where: short stacking energy: -232.740
Base-Backbone interact. energy: 4.781
local terms energy: -416.558866
where:
bonds (distance) C4'-P energy: -142.699
bonds (distance) P-C4' energy: -152.419
flat angles C4'-P-C4' energy: -89.517
flat angles P-C4'-P energy: -58.307
tors. eta vs tors. theta energy: 26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2882.778480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.778480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.778480 (E_RNA)
where:
Base-Base interactions energy: -1981.571
where: short stacking energy: -818.604
Base-Backbone interact. energy: -3.311
local terms energy: -897.895857
where:
bonds (distance) C4'-P energy: -171.386
bonds (distance) P-C4' energy: -178.158
flat angles C4'-P-C4' energy: -209.943
flat angles P-C4'-P energy: -121.381
tors. eta vs tors. theta energy: -217.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2761.187899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.187899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.187899 (E_RNA)
where:
Base-Base interactions energy: -1858.352
where: short stacking energy: -819.175
Base-Backbone interact. energy: -3.899
local terms energy: -898.936278
where:
bonds (distance) C4'-P energy: -180.765
bonds (distance) P-C4' energy: -174.844
flat angles C4'-P-C4' energy: -184.512
flat angles P-C4'-P energy: -125.211
tors. eta vs tors. theta energy: -233.604
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: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2727.991986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.991986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.991986 (E_RNA)
where:
Base-Base interactions energy: -1832.138
where: short stacking energy: -794.183
Base-Backbone interact. energy: -2.868
local terms energy: -892.986262
where:
bonds (distance) C4'-P energy: -166.764
bonds (distance) P-C4' energy: -189.340
flat angles C4'-P-C4' energy: -180.533
flat angles P-C4'-P energy: -127.036
tors. eta vs tors. theta energy: -229.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2339.987686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.987686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.987686 (E_RNA)
where:
Base-Base interactions energy: -1537.102
where: short stacking energy: -691.142
Base-Backbone interact. energy: 3.596
local terms energy: -806.480923
where:
bonds (distance) C4'-P energy: -168.843
bonds (distance) P-C4' energy: -174.463
flat angles C4'-P-C4' energy: -178.516
flat angles P-C4'-P energy: -115.606
tors. eta vs tors. theta energy: -169.053
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: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2036.886434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.886434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.886434 (E_RNA)
where:
Base-Base interactions energy: -1278.080
where: short stacking energy: -610.432
Base-Backbone interact. energy: -2.017
local terms energy: -756.789403
where:
bonds (distance) C4'-P energy: -155.776
bonds (distance) P-C4' energy: -168.811
flat angles C4'-P-C4' energy: -165.247
flat angles P-C4'-P energy: -103.676
tors. eta vs tors. theta energy: -163.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1947.620929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.620929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.620929 (E_RNA)
where:
Base-Base interactions energy: -1214.740
where: short stacking energy: -546.698
Base-Backbone interact. energy: -2.177
local terms energy: -730.704255
where:
bonds (distance) C4'-P energy: -171.185
bonds (distance) P-C4' energy: -171.950
flat angles C4'-P-C4' energy: -149.613
flat angles P-C4'-P energy: -104.464
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: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1734.856646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.856646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.856646 (E_RNA)
where:
Base-Base interactions energy: -1049.391
where: short stacking energy: -492.761
Base-Backbone interact. energy: -0.960
local terms energy: -684.505468
where:
bonds (distance) C4'-P energy: -172.760
bonds (distance) P-C4' energy: -161.812
flat angles C4'-P-C4' energy: -153.986
flat angles P-C4'-P energy: -106.966
tors. eta vs tors. theta energy: -88.981
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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1319.916771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.916771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.916771 (E_RNA)
where:
Base-Base interactions energy: -787.135
where: short stacking energy: -370.797
Base-Backbone interact. energy: -1.016
local terms energy: -531.765703
where:
bonds (distance) C4'-P energy: -140.242
bonds (distance) P-C4' energy: -155.595
flat angles C4'-P-C4' energy: -148.328
flat angles P-C4'-P energy: -65.285
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -910.430087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.430087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.430087 (E_RNA)
where:
Base-Base interactions energy: -404.961
where: short stacking energy: -228.314
Base-Backbone interact. energy: -2.797
local terms energy: -502.671890
where:
bonds (distance) C4'-P energy: -139.511
bonds (distance) P-C4' energy: -161.157
flat angles C4'-P-C4' energy: -145.490
flat angles P-C4'-P energy: -74.351
tors. eta vs tors. theta energy: 17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -723.413125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.413125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.413125 (E_RNA)
where:
Base-Base interactions energy: -267.303
where: short stacking energy: -199.318
Base-Backbone interact. energy: 1.161
local terms energy: -457.271539
where:
bonds (distance) C4'-P energy: -159.287
bonds (distance) P-C4' energy: -154.514
flat angles C4'-P-C4' energy: -105.236
flat angles P-C4'-P energy: -73.793
tors. eta vs tors. theta energy: 35.558
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: 77
Temperature: 0.900000
Total energy: -2898.358114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.358114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.358114 (E_RNA)
where:
Base-Base interactions energy: -1981.159
where: short stacking energy: -823.277
Base-Backbone interact. energy: -3.287
local terms energy: -913.911994
where:
bonds (distance) C4'-P energy: -178.539
bonds (distance) P-C4' energy: -183.304
flat angles C4'-P-C4' energy: -192.542
flat angles P-C4'-P energy: -132.639
tors. eta vs tors. theta energy: -226.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2799.356050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.356050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.356050 (E_RNA)
where:
Base-Base interactions energy: -1891.781
where: short stacking energy: -838.481
Base-Backbone interact. energy: -1.751
local terms energy: -905.824710
where:
bonds (distance) C4'-P energy: -159.592
bonds (distance) P-C4' energy: -170.205
flat angles C4'-P-C4' energy: -203.949
flat angles P-C4'-P energy: -133.410
tors. eta vs tors. theta energy: -238.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2694.133439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.133439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.133439 (E_RNA)
where:
Base-Base interactions energy: -1846.337
where: short stacking energy: -774.475
Base-Backbone interact. energy: -0.394
local terms energy: -847.402167
where:
bonds (distance) C4'-P energy: -147.718
bonds (distance) P-C4' energy: -179.061
flat angles C4'-P-C4' energy: -192.589
flat angles P-C4'-P energy: -126.659
tors. eta vs tors. theta energy: -201.375
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: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2327.596459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.596459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.596459 (E_RNA)
where:
Base-Base interactions energy: -1486.237
where: short stacking energy: -679.406
Base-Backbone interact. energy: -3.643
local terms energy: -837.715659
where:
bonds (distance) C4'-P energy: -178.138
bonds (distance) P-C4' energy: -162.389
flat angles C4'-P-C4' energy: -187.294
flat angles P-C4'-P energy: -125.202
tors. eta vs tors. theta energy: -184.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1999.994970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.994970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.994970 (E_RNA)
where:
Base-Base interactions energy: -1237.702
where: short stacking energy: -600.539
Base-Backbone interact. energy: -2.918
local terms energy: -759.375355
where:
bonds (distance) C4'-P energy: -162.000
bonds (distance) P-C4' energy: -147.459
flat angles C4'-P-C4' energy: -167.799
flat angles P-C4'-P energy: -118.921
tors. eta vs tors. theta energy: -163.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1989.411980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.411980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.411980 (E_RNA)
where:
Base-Base interactions energy: -1248.540
where: short stacking energy: -552.592
Base-Backbone interact. energy: -1.376
local terms energy: -739.496348
where:
bonds (distance) C4'-P energy: -155.876
bonds (distance) P-C4' energy: -153.649
flat angles C4'-P-C4' energy: -181.230
flat angles P-C4'-P energy: -93.884
tors. eta vs tors. theta energy: -154.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1788.192391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.192391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.192391 (E_RNA)
where:
Base-Base interactions energy: -1121.358
where: short stacking energy: -517.610
Base-Backbone interact. energy: -0.860
local terms energy: -665.974510
where:
bonds (distance) C4'-P energy: -141.907
bonds (distance) P-C4' energy: -172.036
flat angles C4'-P-C4' energy: -171.680
flat angles P-C4'-P energy: -98.258
tors. eta vs tors. theta energy: -82.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1351.627523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.627523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.627523 (E_RNA)
where:
Base-Base interactions energy: -803.445
where: short stacking energy: -368.943
Base-Backbone interact. energy: 2.032
local terms energy: -550.214828
where:
bonds (distance) C4'-P energy: -148.921
bonds (distance) P-C4' energy: -145.657
flat angles C4'-P-C4' energy: -134.494
flat angles P-C4'-P energy: -84.609
tors. eta vs tors. theta energy: -36.534
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: 77
Temperature: 1.300000
Total energy: -889.288474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.288474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.288474 (E_RNA)
where:
Base-Base interactions energy: -385.211
where: short stacking energy: -252.765
Base-Backbone interact. energy: -2.760
local terms energy: -501.317152
where:
bonds (distance) C4'-P energy: -148.990
bonds (distance) P-C4' energy: -143.949
flat angles C4'-P-C4' energy: -124.075
flat angles P-C4'-P energy: -91.245
tors. eta vs tors. theta energy: 6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -733.241392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.241392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.241392 (E_RNA)
where:
Base-Base interactions energy: -289.380
where: short stacking energy: -201.222
Base-Backbone interact. energy: -2.422
local terms energy: -441.439830
where:
bonds (distance) C4'-P energy: -135.754
bonds (distance) P-C4' energy: -170.167
flat angles C4'-P-C4' energy: -112.215
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: 28.957
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2917.878699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.878699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.878699 (E_RNA)
where:
Base-Base interactions energy: -2004.705
where: short stacking energy: -822.381
Base-Backbone interact. energy: -0.295
local terms energy: -912.879215
where:
bonds (distance) C4'-P energy: -180.376
bonds (distance) P-C4' energy: -165.316
flat angles C4'-P-C4' energy: -195.332
flat angles P-C4'-P energy: -143.196
tors. eta vs tors. theta energy: -228.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2837.769631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.769631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.769631 (E_RNA)
where:
Base-Base interactions energy: -1923.684
where: short stacking energy: -819.230
Base-Backbone interact. energy: -3.659
local terms energy: -910.426485
where:
bonds (distance) C4'-P energy: -171.436
bonds (distance) P-C4' energy: -177.058
flat angles C4'-P-C4' energy: -196.861
flat angles P-C4'-P energy: -125.747
tors. eta vs tors. theta energy: -239.325
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: 78
Temperature: 1.000000
Total energy: -2725.075263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.075263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.075263 (E_RNA)
where:
Base-Base interactions energy: -1835.800
where: short stacking energy: -786.923
Base-Backbone interact. energy: 1.372
local terms energy: -890.647242
where:
bonds (distance) C4'-P energy: -174.192
bonds (distance) P-C4' energy: -172.748
flat angles C4'-P-C4' energy: -201.792
flat angles P-C4'-P energy: -119.405
tors. eta vs tors. theta energy: -222.511
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2338.754602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.754602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.754602 (E_RNA)
where:
Base-Base interactions energy: -1523.768
where: short stacking energy: -722.829
Base-Backbone interact. energy: -3.095
local terms energy: -811.891743
where:
bonds (distance) C4'-P energy: -154.619
bonds (distance) P-C4' energy: -167.294
flat angles C4'-P-C4' energy: -176.815
flat angles P-C4'-P energy: -129.514
tors. eta vs tors. theta energy: -183.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2044.942767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.942767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.942767 (E_RNA)
where:
Base-Base interactions energy: -1286.343
where: short stacking energy: -624.653
Base-Backbone interact. energy: -3.661
local terms energy: -754.939038
where:
bonds (distance) C4'-P energy: -153.456
bonds (distance) P-C4' energy: -164.571
flat angles C4'-P-C4' energy: -159.001
flat angles P-C4'-P energy: -109.934
tors. eta vs tors. theta energy: -167.978
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: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2032.467462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.467462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.467462 (E_RNA)
where:
Base-Base interactions energy: -1307.572
where: short stacking energy: -638.719
Base-Backbone interact. energy: 0.294
local terms energy: -725.190004
where:
bonds (distance) C4'-P energy: -130.441
bonds (distance) P-C4' energy: -154.976
flat angles C4'-P-C4' energy: -175.520
flat angles P-C4'-P energy: -97.488
tors. eta vs tors. theta energy: -166.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1746.191254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.191254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.191254 (E_RNA)
where:
Base-Base interactions energy: -1091.943
where: short stacking energy: -499.488
Base-Backbone interact. energy: 3.227
local terms energy: -657.474605
where:
bonds (distance) C4'-P energy: -145.717
bonds (distance) P-C4' energy: -165.662
flat angles C4'-P-C4' energy: -169.409
flat angles P-C4'-P energy: -77.475
tors. eta vs tors. theta energy: -99.211
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: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1298.540148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.540148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.540148 (E_RNA)
where:
Base-Base interactions energy: -730.058
where: short stacking energy: -367.577
Base-Backbone interact. energy: 0.229
local terms energy: -568.710775
where:
bonds (distance) C4'-P energy: -150.624
bonds (distance) P-C4' energy: -133.634
flat angles C4'-P-C4' energy: -150.529
flat angles P-C4'-P energy: -94.376
tors. eta vs tors. theta energy: -39.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -927.192736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.192736 (E_RNA)
where:
Base-Base interactions energy: -400.170
where: short stacking energy: -258.321
Base-Backbone interact. energy: -3.675
local terms energy: -523.347330
where:
bonds (distance) C4'-P energy: -142.908
bonds (distance) P-C4' energy: -152.686
flat angles C4'-P-C4' energy: -143.028
flat angles P-C4'-P energy: -82.239
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -720.561834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.561834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.561834 (E_RNA)
where:
Base-Base interactions energy: -269.545
where: short stacking energy: -187.200
Base-Backbone interact. energy: 8.951
local terms energy: -459.968588
where:
bonds (distance) C4'-P energy: -152.064
bonds (distance) P-C4' energy: -165.001
flat angles C4'-P-C4' energy: -106.538
flat angles P-C4'-P energy: -67.127
tors. eta vs tors. theta energy: 30.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2914.453395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.453395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.453395 (E_RNA)
where:
Base-Base interactions energy: -1982.158
where: short stacking energy: -802.505
Base-Backbone interact. energy: -4.119
local terms energy: -928.176516
where:
bonds (distance) C4'-P energy: -177.485
bonds (distance) P-C4' energy: -181.926
flat angles C4'-P-C4' energy: -200.985
flat angles P-C4'-P energy: -140.110
tors. eta vs tors. theta energy: -227.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2810.890858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.890858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.890858 (E_RNA)
where:
Base-Base interactions energy: -1941.002
where: short stacking energy: -828.577
Base-Backbone interact. energy: 2.807
local terms energy: -872.695472
where:
bonds (distance) C4'-P energy: -175.825
bonds (distance) P-C4' energy: -153.435
flat angles C4'-P-C4' energy: -182.941
flat angles P-C4'-P energy: -137.831
tors. eta vs tors. theta energy: -222.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2719.130128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.130128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.130128 (E_RNA)
where:
Base-Base interactions energy: -1826.435
where: short stacking energy: -791.339
Base-Backbone interact. energy: -4.923
local terms energy: -887.771851
where:
bonds (distance) C4'-P energy: -165.399
bonds (distance) P-C4' energy: -186.025
flat angles C4'-P-C4' energy: -190.983
flat angles P-C4'-P energy: -130.088
tors. eta vs tors. theta energy: -215.277
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: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2380.737265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.737265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.737265 (E_RNA)
where:
Base-Base interactions energy: -1573.708
where: short stacking energy: -691.977
Base-Backbone interact. energy: -2.362
local terms energy: -804.667929
where:
bonds (distance) C4'-P energy: -173.002
bonds (distance) P-C4' energy: -156.171
flat angles C4'-P-C4' energy: -184.914
flat angles P-C4'-P energy: -114.453
tors. eta vs tors. theta energy: -176.128
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: 79
Temperature: 1.100000
Total energy: -2000.498700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.498700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.498700 (E_RNA)
where:
Base-Base interactions energy: -1279.106
where: short stacking energy: -601.362
Base-Backbone interact. energy: -0.824
local terms energy: -720.568837
where:
bonds (distance) C4'-P energy: -149.541
bonds (distance) P-C4' energy: -170.983
flat angles C4'-P-C4' energy: -163.055
flat angles P-C4'-P energy: -101.556
tors. eta vs tors. theta energy: -135.434
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: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2108.477296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.477296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.477296 (E_RNA)
where:
Base-Base interactions energy: -1362.507
where: short stacking energy: -627.521
Base-Backbone interact. energy: -3.314
local terms energy: -742.656437
where:
bonds (distance) C4'-P energy: -152.608
bonds (distance) P-C4' energy: -169.026
flat angles C4'-P-C4' energy: -152.652
flat angles P-C4'-P energy: -102.207
tors. eta vs tors. theta energy: -166.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1775.335837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.335837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.335837 (E_RNA)
where:
Base-Base interactions energy: -1098.047
where: short stacking energy: -510.403
Base-Backbone interact. energy: -1.055
local terms energy: -676.234136
where:
bonds (distance) C4'-P energy: -138.843
bonds (distance) P-C4' energy: -156.890
flat angles C4'-P-C4' energy: -168.055
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -112.852
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: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1286.144408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.144408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.144408 (E_RNA)
where:
Base-Base interactions energy: -713.148
where: short stacking energy: -412.341
Base-Backbone interact. energy: -5.729
local terms energy: -567.266792
where:
bonds (distance) C4'-P energy: -137.396
bonds (distance) P-C4' energy: -157.634
flat angles C4'-P-C4' energy: -138.683
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -55.721
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: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -879.323789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.323789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.323789 (E_RNA)
where:
Base-Base interactions energy: -405.304
where: short stacking energy: -259.267
Base-Backbone interact. energy: 2.321
local terms energy: -476.340893
where:
bonds (distance) C4'-P energy: -124.285
bonds (distance) P-C4' energy: -140.377
flat angles C4'-P-C4' energy: -141.447
flat angles P-C4'-P energy: -79.505
tors. eta vs tors. theta energy: 9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -729.925195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.925195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.925195 (E_RNA)
where:
Base-Base interactions energy: -291.852
where: short stacking energy: -221.895
Base-Backbone interact. energy: 15.503
local terms energy: -453.576003
where:
bonds (distance) C4'-P energy: -130.763
bonds (distance) P-C4' energy: -133.698
flat angles C4'-P-C4' energy: -129.851
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: 29.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2925.248802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.248802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.248802 (E_RNA)
where:
Base-Base interactions energy: -2028.375
where: short stacking energy: -830.748
Base-Backbone interact. energy: -5.831
local terms energy: -891.042799
where:
bonds (distance) C4'-P energy: -168.918
bonds (distance) P-C4' energy: -178.176
flat angles C4'-P-C4' energy: -195.992
flat angles P-C4'-P energy: -133.854
tors. eta vs tors. theta energy: -214.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2816.824732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.824732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.824732 (E_RNA)
where:
Base-Base interactions energy: -1894.627
where: short stacking energy: -813.526
Base-Backbone interact. energy: -7.644
local terms energy: -914.554007
where:
bonds (distance) C4'-P energy: -177.305
bonds (distance) P-C4' energy: -182.659
flat angles C4'-P-C4' energy: -191.356
flat angles P-C4'-P energy: -130.836
tors. eta vs tors. theta energy: -232.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2677.952984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.952984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.952984 (E_RNA)
where:
Base-Base interactions energy: -1831.055
where: short stacking energy: -773.559
Base-Backbone interact. energy: -0.163
local terms energy: -846.735015
where:
bonds (distance) C4'-P energy: -165.635
bonds (distance) P-C4' energy: -176.613
flat angles C4'-P-C4' energy: -176.527
flat angles P-C4'-P energy: -120.076
tors. eta vs tors. theta energy: -207.884
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2364.538281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.538281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.538281 (E_RNA)
where:
Base-Base interactions energy: -1565.949
where: short stacking energy: -695.087
Base-Backbone interact. energy: -4.743
local terms energy: -793.846277
where:
bonds (distance) C4'-P energy: -161.995
bonds (distance) P-C4' energy: -173.563
flat angles C4'-P-C4' energy: -183.993
flat angles P-C4'-P energy: -104.784
tors. eta vs tors. theta energy: -169.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2035.558775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.558775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.558775 (E_RNA)
where:
Base-Base interactions energy: -1258.188
where: short stacking energy: -625.605
Base-Backbone interact. energy: -3.088
local terms energy: -774.282987
where:
bonds (distance) C4'-P energy: -175.686
bonds (distance) P-C4' energy: -171.896
flat angles C4'-P-C4' energy: -150.289
flat angles P-C4'-P energy: -117.551
tors. eta vs tors. theta energy: -158.860
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: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1997.583127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.583127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.583127 (E_RNA)
where:
Base-Base interactions energy: -1272.672
where: short stacking energy: -610.883
Base-Backbone interact. energy: -4.608
local terms energy: -720.302974
where:
bonds (distance) C4'-P energy: -143.000
bonds (distance) P-C4' energy: -151.475
flat angles C4'-P-C4' energy: -169.881
flat angles P-C4'-P energy: -103.441
tors. eta vs tors. theta energy: -152.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1790.421214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.421214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.421214 (E_RNA)
where:
Base-Base interactions energy: -1128.315
where: short stacking energy: -516.362
Base-Backbone interact. energy: 2.447
local terms energy: -664.553259
where:
bonds (distance) C4'-P energy: -153.249
bonds (distance) P-C4' energy: -155.967
flat angles C4'-P-C4' energy: -163.728
flat angles P-C4'-P energy: -93.964
tors. eta vs tors. theta energy: -97.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1324.091083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.091083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.091083 (E_RNA)
where:
Base-Base interactions energy: -743.585
where: short stacking energy: -385.348
Base-Backbone interact. energy: -4.104
local terms energy: -576.401972
where:
bonds (distance) C4'-P energy: -140.606
bonds (distance) P-C4' energy: -165.552
flat angles C4'-P-C4' energy: -141.829
flat angles P-C4'-P energy: -73.912
tors. eta vs tors. theta energy: -54.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -852.297502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.297502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.297502 (E_RNA)
where:
Base-Base interactions energy: -399.230
where: short stacking energy: -252.079
Base-Backbone interact. energy: 7.187
local terms energy: -460.255013
where:
bonds (distance) C4'-P energy: -120.984
bonds (distance) P-C4' energy: -149.662
flat angles C4'-P-C4' energy: -139.769
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -770.033339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.033339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.033339 (E_RNA)
where:
Base-Base interactions energy: -319.488
where: short stacking energy: -214.403
Base-Backbone interact. energy: -4.029
local terms energy: -446.516640
where:
bonds (distance) C4'-P energy: -121.360
bonds (distance) P-C4' energy: -139.048
flat angles C4'-P-C4' energy: -123.865
flat angles P-C4'-P energy: -72.743
tors. eta vs tors. theta energy: 10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2937.178424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.178424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.178424 (E_RNA)
where:
Base-Base interactions energy: -2030.053
where: short stacking energy: -836.966
Base-Backbone interact. energy: -0.897
local terms energy: -906.229033
where:
bonds (distance) C4'-P energy: -183.263
bonds (distance) P-C4' energy: -176.350
flat angles C4'-P-C4' energy: -201.016
flat angles P-C4'-P energy: -120.765
tors. eta vs tors. theta energy: -224.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2828.348687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.348687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.348687 (E_RNA)
where:
Base-Base interactions energy: -1891.135
where: short stacking energy: -822.237
Base-Backbone interact. energy: -9.754
local terms energy: -927.460315
where:
bonds (distance) C4'-P energy: -180.072
bonds (distance) P-C4' energy: -171.877
flat angles C4'-P-C4' energy: -215.754
flat angles P-C4'-P energy: -122.113
tors. eta vs tors. theta energy: -237.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2678.360633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.360633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.360633 (E_RNA)
where:
Base-Base interactions energy: -1833.145
where: short stacking energy: -761.018
Base-Backbone interact. energy: -3.341
local terms energy: -841.874706
where:
bonds (distance) C4'-P energy: -158.319
bonds (distance) P-C4' energy: -176.363
flat angles C4'-P-C4' energy: -178.762
flat angles P-C4'-P energy: -125.875
tors. eta vs tors. theta energy: -202.556
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: 81
Temperature: 1.050000
Total energy: -2366.133684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.133684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.133684 (E_RNA)
where:
Base-Base interactions energy: -1532.690
where: short stacking energy: -686.828
Base-Backbone interact. energy: -2.509
local terms energy: -830.935008
where:
bonds (distance) C4'-P energy: -176.706
bonds (distance) P-C4' energy: -178.735
flat angles C4'-P-C4' energy: -185.788
flat angles P-C4'-P energy: -111.639
tors. eta vs tors. theta energy: -178.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2074.564718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.564718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.564718 (E_RNA)
where:
Base-Base interactions energy: -1274.776
where: short stacking energy: -611.952
Base-Backbone interact. energy: -2.251
local terms energy: -797.537463
where:
bonds (distance) C4'-P energy: -172.125
bonds (distance) P-C4' energy: -172.326
flat angles C4'-P-C4' energy: -185.940
flat angles P-C4'-P energy: -119.730
tors. eta vs tors. theta energy: -147.416
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: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2017.299887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.299887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.299887 (E_RNA)
where:
Base-Base interactions energy: -1328.882
where: short stacking energy: -569.605
Base-Backbone interact. energy: -1.066
local terms energy: -687.351444
where:
bonds (distance) C4'-P energy: -159.632
bonds (distance) P-C4' energy: -149.788
flat angles C4'-P-C4' energy: -164.824
flat angles P-C4'-P energy: -86.839
tors. eta vs tors. theta energy: -126.269
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: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1793.642150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.642150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.642150 (E_RNA)
where:
Base-Base interactions energy: -1092.545
where: short stacking energy: -480.143
Base-Backbone interact. energy: -3.082
local terms energy: -698.014570
where:
bonds (distance) C4'-P energy: -156.828
bonds (distance) P-C4' energy: -156.296
flat angles C4'-P-C4' energy: -159.657
flat angles P-C4'-P energy: -110.524
tors. eta vs tors. theta energy: -114.709
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: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1358.301562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.301562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.301562 (E_RNA)
where:
Base-Base interactions energy: -778.843
where: short stacking energy: -344.322
Base-Backbone interact. energy: 0.179
local terms energy: -579.637100
where:
bonds (distance) C4'-P energy: -158.130
bonds (distance) P-C4' energy: -155.480
flat angles C4'-P-C4' energy: -138.557
flat angles P-C4'-P energy: -98.260
tors. eta vs tors. theta energy: -29.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -855.584420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.584420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.584420 (E_RNA)
where:
Base-Base interactions energy: -381.417
where: short stacking energy: -216.394
Base-Backbone interact. energy: 5.979
local terms energy: -480.146418
where:
bonds (distance) C4'-P energy: -130.945
bonds (distance) P-C4' energy: -161.959
flat angles C4'-P-C4' energy: -127.697
flat angles P-C4'-P energy: -89.509
tors. eta vs tors. theta energy: 29.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -791.425590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.425590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.425590 (E_RNA)
where:
Base-Base interactions energy: -340.463
where: short stacking energy: -208.163
Base-Backbone interact. energy: 1.500
local terms energy: -452.463004
where:
bonds (distance) C4'-P energy: -157.205
bonds (distance) P-C4' energy: -124.552
flat angles C4'-P-C4' energy: -142.558
flat angles P-C4'-P energy: -67.359
tors. eta vs tors. theta energy: 39.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2942.996649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.996649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.996649 (E_RNA)
where:
Base-Base interactions energy: -2012.953
where: short stacking energy: -828.573
Base-Backbone interact. energy: -3.409
local terms energy: -926.635327
where:
bonds (distance) C4'-P energy: -173.302
bonds (distance) P-C4' energy: -183.437
flat angles C4'-P-C4' energy: -204.249
flat angles P-C4'-P energy: -135.511
tors. eta vs tors. theta energy: -230.136
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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2798.972535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.972535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.972535 (E_RNA)
where:
Base-Base interactions energy: -1891.498
where: short stacking energy: -791.042
Base-Backbone interact. energy: -2.922
local terms energy: -904.553124
where:
bonds (distance) C4'-P energy: -171.513
bonds (distance) P-C4' energy: -172.364
flat angles C4'-P-C4' energy: -194.125
flat angles P-C4'-P energy: -144.254
tors. eta vs tors. theta energy: -222.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2703.037498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.037498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.037498 (E_RNA)
where:
Base-Base interactions energy: -1811.569
where: short stacking energy: -760.445
Base-Backbone interact. energy: -6.697
local terms energy: -884.771832
where:
bonds (distance) C4'-P energy: -167.143
bonds (distance) P-C4' energy: -185.822
flat angles C4'-P-C4' energy: -199.115
flat angles P-C4'-P energy: -111.245
tors. eta vs tors. theta energy: -221.446
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: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2371.127917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.127917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.127917 (E_RNA)
where:
Base-Base interactions energy: -1555.309
where: short stacking energy: -697.589
Base-Backbone interact. energy: -0.632
local terms energy: -815.187399
where:
bonds (distance) C4'-P energy: -160.388
bonds (distance) P-C4' energy: -164.509
flat angles C4'-P-C4' energy: -192.664
flat angles P-C4'-P energy: -122.074
tors. eta vs tors. theta energy: -175.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2082.132619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.132619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.132619 (E_RNA)
where:
Base-Base interactions energy: -1320.153
where: short stacking energy: -605.593
Base-Backbone interact. energy: 0.048
local terms energy: -762.028048
where:
bonds (distance) C4'-P energy: -158.330
bonds (distance) P-C4' energy: -161.230
flat angles C4'-P-C4' energy: -165.208
flat angles P-C4'-P energy: -117.907
tors. eta vs tors. theta energy: -159.353
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: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1998.856973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.856973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.856973 (E_RNA)
where:
Base-Base interactions energy: -1303.984
where: short stacking energy: -594.978
Base-Backbone interact. energy: -2.861
local terms energy: -692.011629
where:
bonds (distance) C4'-P energy: -137.986
bonds (distance) P-C4' energy: -170.646
flat angles C4'-P-C4' energy: -177.855
flat angles P-C4'-P energy: -80.610
tors. eta vs tors. theta energy: -124.915
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: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1753.934418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.934418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.934418 (E_RNA)
where:
Base-Base interactions energy: -1048.263
where: short stacking energy: -484.958
Base-Backbone interact. energy: -3.939
local terms energy: -701.733129
where:
bonds (distance) C4'-P energy: -143.218
bonds (distance) P-C4' energy: -170.221
flat angles C4'-P-C4' energy: -169.604
flat angles P-C4'-P energy: -116.753
tors. eta vs tors. theta energy: -101.939
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: 82
Temperature: 1.250000
Total energy: -1387.750930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.750930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.750930 (E_RNA)
where:
Base-Base interactions energy: -822.011
where: short stacking energy: -379.103
Base-Backbone interact. energy: -0.641
local terms energy: -565.097961
where:
bonds (distance) C4'-P energy: -146.232
bonds (distance) P-C4' energy: -140.035
flat angles C4'-P-C4' energy: -155.901
flat angles P-C4'-P energy: -76.317
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -856.624475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.624475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.624475 (E_RNA)
where:
Base-Base interactions energy: -390.396
where: short stacking energy: -213.472
Base-Backbone interact. energy: 0.471
local terms energy: -466.699422
where:
bonds (distance) C4'-P energy: -130.868
bonds (distance) P-C4' energy: -165.563
flat angles C4'-P-C4' energy: -119.207
flat angles P-C4'-P energy: -59.871
tors. eta vs tors. theta energy: 8.809
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: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -785.313514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.313514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.313514 (E_RNA)
where:
Base-Base interactions energy: -324.412
where: short stacking energy: -221.373
Base-Backbone interact. energy: -2.943
local terms energy: -457.958528
where:
bonds (distance) C4'-P energy: -119.375
bonds (distance) P-C4' energy: -155.011
flat angles C4'-P-C4' energy: -136.334
flat angles P-C4'-P energy: -79.202
tors. eta vs tors. theta energy: 31.964
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: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2921.743529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.743529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.743529 (E_RNA)
where:
Base-Base interactions energy: -1983.869
where: short stacking energy: -810.251
Base-Backbone interact. energy: -0.910
local terms energy: -936.964140
where:
bonds (distance) C4'-P energy: -172.692
bonds (distance) P-C4' energy: -186.346
flat angles C4'-P-C4' energy: -206.447
flat angles P-C4'-P energy: -152.263
tors. eta vs tors. theta energy: -219.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2859.233512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.233512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.233512 (E_RNA)
where:
Base-Base interactions energy: -1937.486
where: short stacking energy: -828.181
Base-Backbone interact. energy: -3.186
local terms energy: -918.561696
where:
bonds (distance) C4'-P energy: -163.434
bonds (distance) P-C4' energy: -166.067
flat angles C4'-P-C4' energy: -215.695
flat angles P-C4'-P energy: -120.759
tors. eta vs tors. theta energy: -252.606
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: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2732.922864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.922864 (E_RNA)
where:
Base-Base interactions energy: -1871.297
where: short stacking energy: -791.739
Base-Backbone interact. energy: -0.870
local terms energy: -860.755775
where:
bonds (distance) C4'-P energy: -153.950
bonds (distance) P-C4' energy: -159.876
flat angles C4'-P-C4' energy: -189.327
flat angles P-C4'-P energy: -127.364
tors. eta vs tors. theta energy: -230.239
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2369.730004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.730004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.730004 (E_RNA)
where:
Base-Base interactions energy: -1522.065
where: short stacking energy: -683.905
Base-Backbone interact. energy: -2.955
local terms energy: -844.709718
where:
bonds (distance) C4'-P energy: -169.812
bonds (distance) P-C4' energy: -171.450
flat angles C4'-P-C4' energy: -183.588
flat angles P-C4'-P energy: -132.815
tors. eta vs tors. theta energy: -187.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2061.270840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.270840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.270840 (E_RNA)
where:
Base-Base interactions energy: -1296.719
where: short stacking energy: -628.299
Base-Backbone interact. energy: 3.079
local terms energy: -767.630624
where:
bonds (distance) C4'-P energy: -177.466
bonds (distance) P-C4' energy: -156.079
flat angles C4'-P-C4' energy: -170.129
flat angles P-C4'-P energy: -88.516
tors. eta vs tors. theta energy: -175.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1973.784583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.784583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.784583 (E_RNA)
where:
Base-Base interactions energy: -1261.901
where: short stacking energy: -614.473
Base-Backbone interact. energy: 1.501
local terms energy: -713.384040
where:
bonds (distance) C4'-P energy: -146.564
bonds (distance) P-C4' energy: -152.273
flat angles C4'-P-C4' energy: -163.367
flat angles P-C4'-P energy: -80.313
tors. eta vs tors. theta energy: -170.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1706.520089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.520089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.520089 (E_RNA)
where:
Base-Base interactions energy: -1081.749
where: short stacking energy: -539.139
Base-Backbone interact. energy: 1.814
local terms energy: -626.584412
where:
bonds (distance) C4'-P energy: -126.347
bonds (distance) P-C4' energy: -141.078
flat angles C4'-P-C4' energy: -161.663
flat angles P-C4'-P energy: -101.683
tors. eta vs tors. theta energy: -95.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1451.577325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.577325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.577325 (E_RNA)
where:
Base-Base interactions energy: -907.979
where: short stacking energy: -449.130
Base-Backbone interact. energy: -0.086
local terms energy: -543.512922
where:
bonds (distance) C4'-P energy: -134.648
bonds (distance) P-C4' energy: -139.477
flat angles C4'-P-C4' energy: -121.925
flat angles P-C4'-P energy: -83.185
tors. eta vs tors. theta energy: -64.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -868.802578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.802578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.802578 (E_RNA)
where:
Base-Base interactions energy: -394.751
where: short stacking energy: -259.992
Base-Backbone interact. energy: -0.705
local terms energy: -473.346478
where:
bonds (distance) C4'-P energy: -140.922
bonds (distance) P-C4' energy: -134.583
flat angles C4'-P-C4' energy: -122.191
flat angles P-C4'-P energy: -92.002
tors. eta vs tors. theta energy: 16.352
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: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -795.206359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.206359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.206359 (E_RNA)
where:
Base-Base interactions energy: -359.803
where: short stacking energy: -230.534
Base-Backbone interact. energy: 3.056
local terms energy: -438.459609
where:
bonds (distance) C4'-P energy: -132.700
bonds (distance) P-C4' energy: -136.557
flat angles C4'-P-C4' energy: -113.556
flat angles P-C4'-P energy: -57.969
tors. eta vs tors. theta energy: 2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2873.791166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.791166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.791166 (E_RNA)
where:
Base-Base interactions energy: -1971.560
where: short stacking energy: -819.772
Base-Backbone interact. energy: -1.600
local terms energy: -900.631143
where:
bonds (distance) C4'-P energy: -162.993
bonds (distance) P-C4' energy: -184.795
flat angles C4'-P-C4' energy: -206.679
flat angles P-C4'-P energy: -120.686
tors. eta vs tors. theta energy: -225.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2806.321033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.321033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.321033 (E_RNA)
where:
Base-Base interactions energy: -1894.576
where: short stacking energy: -820.449
Base-Backbone interact. energy: -2.152
local terms energy: -909.593105
where:
bonds (distance) C4'-P energy: -168.424
bonds (distance) P-C4' energy: -158.799
flat angles C4'-P-C4' energy: -193.250
flat angles P-C4'-P energy: -142.941
tors. eta vs tors. theta energy: -246.179
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: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2749.568187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.568187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.568187 (E_RNA)
where:
Base-Base interactions energy: -1880.182
where: short stacking energy: -766.704
Base-Backbone interact. energy: -4.641
local terms energy: -864.744749
where:
bonds (distance) C4'-P energy: -176.595
bonds (distance) P-C4' energy: -169.258
flat angles C4'-P-C4' energy: -186.670
flat angles P-C4'-P energy: -120.168
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: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2392.095217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.095217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.095217 (E_RNA)
where:
Base-Base interactions energy: -1583.839
where: short stacking energy: -716.969
Base-Backbone interact. energy: -2.535
local terms energy: -805.721261
where:
bonds (distance) C4'-P energy: -159.263
bonds (distance) P-C4' energy: -167.411
flat angles C4'-P-C4' energy: -189.395
flat angles P-C4'-P energy: -114.306
tors. eta vs tors. theta energy: -175.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2115.893755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.893755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.893755 (E_RNA)
where:
Base-Base interactions energy: -1377.494
where: short stacking energy: -617.355
Base-Backbone interact. energy: 0.486
local terms energy: -738.885629
where:
bonds (distance) C4'-P energy: -154.651
bonds (distance) P-C4' energy: -157.787
flat angles C4'-P-C4' energy: -163.300
flat angles P-C4'-P energy: -108.557
tors. eta vs tors. theta energy: -154.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2035.664109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.664109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.664109 (E_RNA)
where:
Base-Base interactions energy: -1303.638
where: short stacking energy: -580.632
Base-Backbone interact. energy: 3.400
local terms energy: -735.426864
where:
bonds (distance) C4'-P energy: -156.121
bonds (distance) P-C4' energy: -159.715
flat angles C4'-P-C4' energy: -170.075
flat angles P-C4'-P energy: -107.073
tors. eta vs tors. theta energy: -142.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1815.237908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.237908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.237908 (E_RNA)
where:
Base-Base interactions energy: -1141.445
where: short stacking energy: -544.906
Base-Backbone interact. energy: -0.605
local terms energy: -673.188015
where:
bonds (distance) C4'-P energy: -154.071
bonds (distance) P-C4' energy: -155.653
flat angles C4'-P-C4' energy: -157.060
flat angles P-C4'-P energy: -94.386
tors. eta vs tors. theta energy: -112.018
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: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1428.368377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.368377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.368377 (E_RNA)
where:
Base-Base interactions energy: -850.625
where: short stacking energy: -424.686
Base-Backbone interact. energy: -4.189
local terms energy: -573.553775
where:
bonds (distance) C4'-P energy: -149.128
bonds (distance) P-C4' energy: -143.622
flat angles C4'-P-C4' energy: -127.002
flat angles P-C4'-P energy: -87.114
tors. eta vs tors. theta energy: -66.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -950.758734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.758734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.758734 (E_RNA)
where:
Base-Base interactions energy: -440.516
where: short stacking energy: -266.816
Base-Backbone interact. energy: -3.634
local terms energy: -506.608508
where:
bonds (distance) C4'-P energy: -135.027
bonds (distance) P-C4' energy: -150.143
flat angles C4'-P-C4' energy: -144.465
flat angles P-C4'-P energy: -89.683
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: 84
Temperature: 1.350000
Total energy: -836.212931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.212931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.212931 (E_RNA)
where:
Base-Base interactions energy: -377.933
where: short stacking energy: -224.561
Base-Backbone interact. energy: 5.251
local terms energy: -463.530610
where:
bonds (distance) C4'-P energy: -148.619
bonds (distance) P-C4' energy: -133.446
flat angles C4'-P-C4' energy: -125.381
flat angles P-C4'-P energy: -74.331
tors. eta vs tors. theta energy: 18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2897.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.540873 (E_RNA)
where:
Base-Base interactions energy: -1957.218
where: short stacking energy: -832.184
Base-Backbone interact. energy: -1.942
local terms energy: -938.380942
where:
bonds (distance) C4'-P energy: -184.627
bonds (distance) P-C4' energy: -197.170
flat angles C4'-P-C4' energy: -195.717
flat angles P-C4'-P energy: -135.835
tors. eta vs tors. theta energy: -225.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2796.769185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.769185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.769185 (E_RNA)
where:
Base-Base interactions energy: -1872.166
where: short stacking energy: -817.008
Base-Backbone interact. energy: -1.483
local terms energy: -923.119848
where:
bonds (distance) C4'-P energy: -172.818
bonds (distance) P-C4' energy: -204.813
flat angles C4'-P-C4' energy: -186.868
flat angles P-C4'-P energy: -126.055
tors. eta vs tors. theta energy: -232.566
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: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2726.304227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.304227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.304227 (E_RNA)
where:
Base-Base interactions energy: -1848.489
where: short stacking energy: -798.074
Base-Backbone interact. energy: 0.816
local terms energy: -878.631150
where:
bonds (distance) C4'-P energy: -161.912
bonds (distance) P-C4' energy: -183.729
flat angles C4'-P-C4' energy: -193.602
flat angles P-C4'-P energy: -115.019
tors. eta vs tors. theta energy: -224.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2444.518353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.518353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.518353 (E_RNA)
where:
Base-Base interactions energy: -1606.269
where: short stacking energy: -713.107
Base-Backbone interact. energy: -3.279
local terms energy: -834.970093
where:
bonds (distance) C4'-P energy: -174.018
bonds (distance) P-C4' energy: -168.400
flat angles C4'-P-C4' energy: -181.847
flat angles P-C4'-P energy: -121.338
tors. eta vs tors. theta energy: -189.367
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2182.912270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.912270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.912270 (E_RNA)
where:
Base-Base interactions energy: -1384.624
where: short stacking energy: -670.176
Base-Backbone interact. energy: -0.553
local terms energy: -797.734860
where:
bonds (distance) C4'-P energy: -156.079
bonds (distance) P-C4' energy: -165.028
flat angles C4'-P-C4' energy: -182.784
flat angles P-C4'-P energy: -106.896
tors. eta vs tors. theta energy: -186.948
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: 85
Temperature: 1.150000
Total energy: -2079.685870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.685870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.685870 (E_RNA)
where:
Base-Base interactions energy: -1349.650
where: short stacking energy: -646.236
Base-Backbone interact. energy: 4.769
local terms energy: -734.804815
where:
bonds (distance) C4'-P energy: -138.033
bonds (distance) P-C4' energy: -153.082
flat angles C4'-P-C4' energy: -170.885
flat angles P-C4'-P energy: -100.671
tors. eta vs tors. theta energy: -172.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1737.492297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.492297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.492297 (E_RNA)
where:
Base-Base interactions energy: -1091.233
where: short stacking energy: -510.469
Base-Backbone interact. energy: -0.973
local terms energy: -645.286267
where:
bonds (distance) C4'-P energy: -143.560
bonds (distance) P-C4' energy: -143.188
flat angles C4'-P-C4' energy: -167.562
flat angles P-C4'-P energy: -91.872
tors. eta vs tors. theta energy: -99.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1460.157267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.157267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.157267 (E_RNA)
where:
Base-Base interactions energy: -878.941
where: short stacking energy: -425.873
Base-Backbone interact. energy: -1.341
local terms energy: -579.875526
where:
bonds (distance) C4'-P energy: -150.593
bonds (distance) P-C4' energy: -162.540
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -53.152
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: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -947.224735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.224735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.224735 (E_RNA)
where:
Base-Base interactions energy: -447.483
where: short stacking energy: -235.920
Base-Backbone interact. energy: 1.023
local terms energy: -500.765199
where:
bonds (distance) C4'-P energy: -131.067
bonds (distance) P-C4' energy: -160.046
flat angles C4'-P-C4' energy: -144.634
flat angles P-C4'-P energy: -83.949
tors. eta vs tors. theta energy: 18.931
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: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -765.402989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.402989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.402989 (E_RNA)
where:
Base-Base interactions energy: -310.781
where: short stacking energy: -223.976
Base-Backbone interact. energy: -0.598
local terms energy: -454.024388
where:
bonds (distance) C4'-P energy: -129.765
bonds (distance) P-C4' energy: -173.918
flat angles C4'-P-C4' energy: -117.094
flat angles P-C4'-P energy: -66.405
tors. eta vs tors. theta energy: 33.158
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: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2921.850930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.850930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.850930 (E_RNA)
where:
Base-Base interactions energy: -2020.451
where: short stacking energy: -812.371
Base-Backbone interact. energy: -4.948
local terms energy: -896.451823
where:
bonds (distance) C4'-P energy: -169.336
bonds (distance) P-C4' energy: -166.062
flat angles C4'-P-C4' energy: -198.018
flat angles P-C4'-P energy: -133.471
tors. eta vs tors. theta energy: -229.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2799.989009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.989009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.989009 (E_RNA)
where:
Base-Base interactions energy: -1903.526
where: short stacking energy: -819.265
Base-Backbone interact. energy: 3.750
local terms energy: -900.212487
where:
bonds (distance) C4'-P energy: -159.258
bonds (distance) P-C4' energy: -174.208
flat angles C4'-P-C4' energy: -205.051
flat angles P-C4'-P energy: -131.078
tors. eta vs tors. theta energy: -230.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2732.665785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.665785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.665785 (E_RNA)
where:
Base-Base interactions energy: -1860.568
where: short stacking energy: -777.309
Base-Backbone interact. energy: -4.982
local terms energy: -867.115219
where:
bonds (distance) C4'-P energy: -158.638
bonds (distance) P-C4' energy: -168.844
flat angles C4'-P-C4' energy: -191.869
flat angles P-C4'-P energy: -137.460
tors. eta vs tors. theta energy: -210.304
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2373.962765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.962765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.962765 (E_RNA)
where:
Base-Base interactions energy: -1586.130
where: short stacking energy: -676.321
Base-Backbone interact. energy: 1.191
local terms energy: -789.023741
where:
bonds (distance) C4'-P energy: -161.113
bonds (distance) P-C4' energy: -165.498
flat angles C4'-P-C4' energy: -189.287
flat angles P-C4'-P energy: -106.700
tors. eta vs tors. theta energy: -166.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2200.801176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.801176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.801176 (E_RNA)
where:
Base-Base interactions energy: -1402.130
where: short stacking energy: -695.238
Base-Backbone interact. energy: -1.733
local terms energy: -796.938763
where:
bonds (distance) C4'-P energy: -164.449
bonds (distance) P-C4' energy: -154.574
flat angles C4'-P-C4' energy: -184.623
flat angles P-C4'-P energy: -122.607
tors. eta vs tors. theta energy: -170.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2075.347159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.347159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.347159 (E_RNA)
where:
Base-Base interactions energy: -1309.272
where: short stacking energy: -627.792
Base-Backbone interact. energy: -0.700
local terms energy: -765.375026
where:
bonds (distance) C4'-P energy: -152.216
bonds (distance) P-C4' energy: -165.826
flat angles C4'-P-C4' energy: -183.772
flat angles P-C4'-P energy: -97.922
tors. eta vs tors. theta energy: -165.639
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: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1827.395239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.395239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.395239 (E_RNA)
where:
Base-Base interactions energy: -1124.506
where: short stacking energy: -508.168
Base-Backbone interact. energy: 2.721
local terms energy: -705.610294
where:
bonds (distance) C4'-P energy: -172.884
bonds (distance) P-C4' energy: -154.765
flat angles C4'-P-C4' energy: -157.057
flat angles P-C4'-P energy: -98.287
tors. eta vs tors. theta energy: -122.618
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: 86
Temperature: 1.250000
Total energy: -1594.354403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.354403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.354403 (E_RNA)
where:
Base-Base interactions energy: -974.499
where: short stacking energy: -425.909
Base-Backbone interact. energy: -0.954
local terms energy: -618.901171
where:
bonds (distance) C4'-P energy: -143.031
bonds (distance) P-C4' energy: -159.870
flat angles C4'-P-C4' energy: -138.006
flat angles P-C4'-P energy: -96.401
tors. eta vs tors. theta energy: -81.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1073.098627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.098627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.098627 (E_RNA)
where:
Base-Base interactions energy: -538.644
where: short stacking energy: -331.420
Base-Backbone interact. energy: 6.427
local terms energy: -540.881238
where:
bonds (distance) C4'-P energy: -147.627
bonds (distance) P-C4' energy: -158.033
flat angles C4'-P-C4' energy: -135.138
flat angles P-C4'-P energy: -77.905
tors. eta vs tors. theta energy: -22.178
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: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -790.300644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.300644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.300644 (E_RNA)
where:
Base-Base interactions energy: -293.649
where: short stacking energy: -189.464
Base-Backbone interact. energy: 0.667
local terms energy: -497.318994
where:
bonds (distance) C4'-P energy: -131.615
bonds (distance) P-C4' energy: -155.582
flat angles C4'-P-C4' energy: -146.239
flat angles P-C4'-P energy: -95.100
tors. eta vs tors. theta energy: 31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2885.712776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.712776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.712776 (E_RNA)
where:
Base-Base interactions energy: -1997.900
where: short stacking energy: -813.193
Base-Backbone interact. energy: -3.145
local terms energy: -884.667707
where:
bonds (distance) C4'-P energy: -170.115
bonds (distance) P-C4' energy: -175.206
flat angles C4'-P-C4' energy: -180.828
flat angles P-C4'-P energy: -137.439
tors. eta vs tors. theta energy: -221.080
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2839.188674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.188674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.188674 (E_RNA)
where:
Base-Base interactions energy: -1916.024
where: short stacking energy: -841.059
Base-Backbone interact. energy: -6.505
local terms energy: -916.659709
where:
bonds (distance) C4'-P energy: -176.362
bonds (distance) P-C4' energy: -159.771
flat angles C4'-P-C4' energy: -192.940
flat angles P-C4'-P energy: -140.849
tors. eta vs tors. theta energy: -246.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2721.928611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.928611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.928611 (E_RNA)
where:
Base-Base interactions energy: -1824.760
where: short stacking energy: -786.861
Base-Backbone interact. energy: -0.892
local terms energy: -896.276875
where:
bonds (distance) C4'-P energy: -173.973
bonds (distance) P-C4' energy: -172.196
flat angles C4'-P-C4' energy: -193.065
flat angles P-C4'-P energy: -135.802
tors. eta vs tors. theta energy: -221.241
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: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2374.500210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.500210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.500210 (E_RNA)
where:
Base-Base interactions energy: -1577.624
where: short stacking energy: -676.446
Base-Backbone interact. energy: 5.115
local terms energy: -801.991238
where:
bonds (distance) C4'-P energy: -159.912
bonds (distance) P-C4' energy: -174.237
flat angles C4'-P-C4' energy: -190.138
flat angles P-C4'-P energy: -119.921
tors. eta vs tors. theta energy: -157.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2202.594064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.594064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.594064 (E_RNA)
where:
Base-Base interactions energy: -1411.670
where: short stacking energy: -668.988
Base-Backbone interact. energy: -2.491
local terms energy: -788.432711
where:
bonds (distance) C4'-P energy: -156.444
bonds (distance) P-C4' energy: -161.472
flat angles C4'-P-C4' energy: -186.328
flat angles P-C4'-P energy: -96.671
tors. eta vs tors. theta energy: -187.518
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2028.563542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.563542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.563542 (E_RNA)
where:
Base-Base interactions energy: -1317.856
where: short stacking energy: -603.851
Base-Backbone interact. energy: -3.471
local terms energy: -707.236464
where:
bonds (distance) C4'-P energy: -140.665
bonds (distance) P-C4' energy: -159.839
flat angles C4'-P-C4' energy: -152.684
flat angles P-C4'-P energy: -104.961
tors. eta vs tors. theta energy: -149.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1743.070199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.070199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.070199 (E_RNA)
where:
Base-Base interactions energy: -1081.383
where: short stacking energy: -531.698
Base-Backbone interact. energy: -0.496
local terms energy: -661.191116
where:
bonds (distance) C4'-P energy: -140.518
bonds (distance) P-C4' energy: -160.665
flat angles C4'-P-C4' energy: -149.701
flat angles P-C4'-P energy: -102.688
tors. eta vs tors. theta energy: -107.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1583.125261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.125261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.125261 (E_RNA)
where:
Base-Base interactions energy: -989.984
where: short stacking energy: -431.077
Base-Backbone interact. energy: -0.347
local terms energy: -592.793683
where:
bonds (distance) C4'-P energy: -144.853
bonds (distance) P-C4' energy: -150.906
flat angles C4'-P-C4' energy: -151.248
flat angles P-C4'-P energy: -89.935
tors. eta vs tors. theta energy: -55.851
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: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1059.486899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.486899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.486899 (E_RNA)
where:
Base-Base interactions energy: -528.507
where: short stacking energy: -268.272
Base-Backbone interact. energy: -1.260
local terms energy: -529.719753
where:
bonds (distance) C4'-P energy: -132.173
bonds (distance) P-C4' energy: -156.641
flat angles C4'-P-C4' energy: -144.909
flat angles P-C4'-P energy: -87.268
tors. eta vs tors. theta energy: -8.728
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -805.391556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.391556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.391556 (E_RNA)
where:
Base-Base interactions energy: -376.375
where: short stacking energy: -228.119
Base-Backbone interact. energy: 2.101
local terms energy: -431.117988
where:
bonds (distance) C4'-P energy: -132.315
bonds (distance) P-C4' energy: -155.901
flat angles C4'-P-C4' energy: -118.200
flat angles P-C4'-P energy: -58.010
tors. eta vs tors. theta energy: 33.307
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: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2917.585603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.585603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.585603 (E_RNA)
where:
Base-Base interactions energy: -1997.981
where: short stacking energy: -811.060
Base-Backbone interact. energy: -4.325
local terms energy: -915.279676
where:
bonds (distance) C4'-P energy: -176.864
bonds (distance) P-C4' energy: -177.918
flat angles C4'-P-C4' energy: -189.364
flat angles P-C4'-P energy: -140.123
tors. eta vs tors. theta energy: -231.011
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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2841.143640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.143640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.143640 (E_RNA)
where:
Base-Base interactions energy: -1940.974
where: short stacking energy: -843.289
Base-Backbone interact. energy: -0.187
local terms energy: -899.982944
where:
bonds (distance) C4'-P energy: -172.407
bonds (distance) P-C4' energy: -167.950
flat angles C4'-P-C4' energy: -193.615
flat angles P-C4'-P energy: -125.152
tors. eta vs tors. theta energy: -240.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2721.748617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.748617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.748617 (E_RNA)
where:
Base-Base interactions energy: -1894.277
where: short stacking energy: -784.212
Base-Backbone interact. energy: -2.831
local terms energy: -824.640902
where:
bonds (distance) C4'-P energy: -129.485
bonds (distance) P-C4' energy: -157.056
flat angles C4'-P-C4' energy: -195.350
flat angles P-C4'-P energy: -133.899
tors. eta vs tors. theta energy: -208.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2378.985913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.985913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.985913 (E_RNA)
where:
Base-Base interactions energy: -1566.836
where: short stacking energy: -680.679
Base-Backbone interact. energy: 1.233
local terms energy: -813.383446
where:
bonds (distance) C4'-P energy: -169.119
bonds (distance) P-C4' energy: -178.565
flat angles C4'-P-C4' energy: -177.693
flat angles P-C4'-P energy: -111.620
tors. eta vs tors. theta energy: -176.386
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: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2205.634436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.634436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.634436 (E_RNA)
where:
Base-Base interactions energy: -1414.641
where: short stacking energy: -672.965
Base-Backbone interact. energy: 0.200
local terms energy: -791.192974
where:
bonds (distance) C4'-P energy: -153.905
bonds (distance) P-C4' energy: -160.649
flat angles C4'-P-C4' energy: -175.063
flat angles P-C4'-P energy: -121.626
tors. eta vs tors. theta energy: -179.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2100.167235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.167235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.167235 (E_RNA)
where:
Base-Base interactions energy: -1324.278
where: short stacking energy: -606.494
Base-Backbone interact. energy: -2.021
local terms energy: -773.868168
where:
bonds (distance) C4'-P energy: -153.556
bonds (distance) P-C4' energy: -173.489
flat angles C4'-P-C4' energy: -172.070
flat angles P-C4'-P energy: -102.808
tors. eta vs tors. theta energy: -171.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1716.546632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.546632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.546632 (E_RNA)
where:
Base-Base interactions energy: -1065.233
where: short stacking energy: -484.275
Base-Backbone interact. energy: -2.244
local terms energy: -649.070115
where:
bonds (distance) C4'-P energy: -150.909
bonds (distance) P-C4' energy: -149.373
flat angles C4'-P-C4' energy: -154.214
flat angles P-C4'-P energy: -104.740
tors. eta vs tors. theta energy: -89.834
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: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1527.257384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.257384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.257384 (E_RNA)
where:
Base-Base interactions energy: -907.197
where: short stacking energy: -412.247
Base-Backbone interact. energy: -1.373
local terms energy: -618.687605
where:
bonds (distance) C4'-P energy: -165.243
bonds (distance) P-C4' energy: -150.706
flat angles C4'-P-C4' energy: -134.609
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -83.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1046.373759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.373759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.373759 (E_RNA)
where:
Base-Base interactions energy: -553.029
where: short stacking energy: -285.239
Base-Backbone interact. energy: 3.774
local terms energy: -497.119473
where:
bonds (distance) C4'-P energy: -137.599
bonds (distance) P-C4' energy: -136.855
flat angles C4'-P-C4' energy: -135.671
flat angles P-C4'-P energy: -80.552
tors. eta vs tors. theta energy: -6.442
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -825.318477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.318477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.318477 (E_RNA)
where:
Base-Base interactions energy: -367.500
where: short stacking energy: -224.584
Base-Backbone interact. energy: -1.490
local terms energy: -456.328525
where:
bonds (distance) C4'-P energy: -143.277
bonds (distance) P-C4' energy: -129.663
flat angles C4'-P-C4' energy: -122.298
flat angles P-C4'-P energy: -77.551
tors. eta vs tors. theta energy: 16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2909.589239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.589239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.589239 (E_RNA)
where:
Base-Base interactions energy: -2016.578
where: short stacking energy: -805.851
Base-Backbone interact. energy: 1.670
local terms energy: -894.681387
where:
bonds (distance) C4'-P energy: -184.651
bonds (distance) P-C4' energy: -183.914
flat angles C4'-P-C4' energy: -195.477
flat angles P-C4'-P energy: -115.951
tors. eta vs tors. theta energy: -214.687
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: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2852.997663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.997663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.997663 (E_RNA)
where:
Base-Base interactions energy: -1919.497
where: short stacking energy: -813.798
Base-Backbone interact. energy: -1.909
local terms energy: -931.591177
where:
bonds (distance) C4'-P energy: -173.629
bonds (distance) P-C4' energy: -194.814
flat angles C4'-P-C4' energy: -194.136
flat angles P-C4'-P energy: -134.939
tors. eta vs tors. theta energy: -234.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2766.771963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.771963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.771963 (E_RNA)
where:
Base-Base interactions energy: -1931.022
where: short stacking energy: -796.870
Base-Backbone interact. energy: 5.565
local terms energy: -841.314518
where:
bonds (distance) C4'-P energy: -166.550
bonds (distance) P-C4' energy: -165.567
flat angles C4'-P-C4' energy: -181.238
flat angles P-C4'-P energy: -117.578
tors. eta vs tors. theta energy: -210.381
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: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2343.521169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.521169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.521169 (E_RNA)
where:
Base-Base interactions energy: -1580.862
where: short stacking energy: -679.755
Base-Backbone interact. energy: 0.469
local terms energy: -763.128107
where:
bonds (distance) C4'-P energy: -152.046
bonds (distance) P-C4' energy: -168.191
flat angles C4'-P-C4' energy: -188.071
flat angles P-C4'-P energy: -98.490
tors. eta vs tors. theta energy: -156.330
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2203.502951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.502951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.502951 (E_RNA)
where:
Base-Base interactions energy: -1403.624
where: short stacking energy: -674.968
Base-Backbone interact. energy: -3.004
local terms energy: -796.874928
where:
bonds (distance) C4'-P energy: -162.951
bonds (distance) P-C4' energy: -169.131
flat angles C4'-P-C4' energy: -175.610
flat angles P-C4'-P energy: -110.390
tors. eta vs tors. theta energy: -178.793
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: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2153.419162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.419162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.419162 (E_RNA)
where:
Base-Base interactions energy: -1430.390
where: short stacking energy: -656.597
Base-Backbone interact. energy: -1.357
local terms energy: -721.672723
where:
bonds (distance) C4'-P energy: -150.666
bonds (distance) P-C4' energy: -154.224
flat angles C4'-P-C4' energy: -161.302
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -170.542
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: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1704.245016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.245016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.245016 (E_RNA)
where:
Base-Base interactions energy: -1104.762
where: short stacking energy: -487.941
Base-Backbone interact. energy: 3.122
local terms energy: -602.605502
where:
bonds (distance) C4'-P energy: -128.030
bonds (distance) P-C4' energy: -152.852
flat angles C4'-P-C4' energy: -156.262
flat angles P-C4'-P energy: -88.114
tors. eta vs tors. theta energy: -77.348
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: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1512.568695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.568695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.568695 (E_RNA)
where:
Base-Base interactions energy: -917.547
where: short stacking energy: -413.574
Base-Backbone interact. energy: 0.350
local terms energy: -595.371860
where:
bonds (distance) C4'-P energy: -123.932
bonds (distance) P-C4' energy: -160.854
flat angles C4'-P-C4' energy: -160.392
flat angles P-C4'-P energy: -94.796
tors. eta vs tors. theta energy: -55.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1024.372746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.372746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.372746 (E_RNA)
where:
Base-Base interactions energy: -544.538
where: short stacking energy: -293.837
Base-Backbone interact. energy: 2.910
local terms energy: -482.745138
where:
bonds (distance) C4'-P energy: -136.610
bonds (distance) P-C4' energy: -148.346
flat angles C4'-P-C4' energy: -121.045
flat angles P-C4'-P energy: -83.307
tors. eta vs tors. theta energy: 6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -836.543354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.543354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.543354 (E_RNA)
where:
Base-Base interactions energy: -373.608
where: short stacking energy: -228.591
Base-Backbone interact. energy: 4.157
local terms energy: -467.092336
where:
bonds (distance) C4'-P energy: -133.745
bonds (distance) P-C4' energy: -148.548
flat angles C4'-P-C4' energy: -129.794
flat angles P-C4'-P energy: -79.042
tors. eta vs tors. theta energy: 24.036
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: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2932.959674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.959674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.959674 (E_RNA)
where:
Base-Base interactions energy: -2010.387
where: short stacking energy: -834.420
Base-Backbone interact. energy: -4.065
local terms energy: -918.507531
where:
bonds (distance) C4'-P energy: -166.165
bonds (distance) P-C4' energy: -180.082
flat angles C4'-P-C4' energy: -203.704
flat angles P-C4'-P energy: -136.900
tors. eta vs tors. theta energy: -231.656
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: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2870.796698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.796698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.796698 (E_RNA)
where:
Base-Base interactions energy: -1968.167
where: short stacking energy: -823.283
Base-Backbone interact. energy: -8.480
local terms energy: -894.149324
where:
bonds (distance) C4'-P energy: -160.271
bonds (distance) P-C4' energy: -170.701
flat angles C4'-P-C4' energy: -199.286
flat angles P-C4'-P energy: -121.367
tors. eta vs tors. theta energy: -242.525
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: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2687.621247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.621247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.621247 (E_RNA)
where:
Base-Base interactions energy: -1844.680
where: short stacking energy: -753.525
Base-Backbone interact. energy: 1.740
local terms energy: -844.680720
where:
bonds (distance) C4'-P energy: -156.924
bonds (distance) P-C4' energy: -168.960
flat angles C4'-P-C4' energy: -190.370
flat angles P-C4'-P energy: -113.724
tors. eta vs tors. theta energy: -214.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2376.386024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.386024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.386024 (E_RNA)
where:
Base-Base interactions energy: -1571.935
where: short stacking energy: -659.542
Base-Backbone interact. energy: -5.737
local terms energy: -798.713527
where:
bonds (distance) C4'-P energy: -160.223
bonds (distance) P-C4' energy: -183.181
flat angles C4'-P-C4' energy: -183.622
flat angles P-C4'-P energy: -107.883
tors. eta vs tors. theta energy: -163.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2218.095614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.095614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.095614 (E_RNA)
where:
Base-Base interactions energy: -1452.217
where: short stacking energy: -647.856
Base-Backbone interact. energy: -2.909
local terms energy: -762.969429
where:
bonds (distance) C4'-P energy: -133.876
bonds (distance) P-C4' energy: -154.594
flat angles C4'-P-C4' energy: -198.930
flat angles P-C4'-P energy: -108.548
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: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2178.360952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.360952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.360952 (E_RNA)
where:
Base-Base interactions energy: -1432.500
where: short stacking energy: -610.195
Base-Backbone interact. energy: 3.133
local terms energy: -748.994523
where:
bonds (distance) C4'-P energy: -160.561
bonds (distance) P-C4' energy: -153.405
flat angles C4'-P-C4' energy: -177.474
flat angles P-C4'-P energy: -102.222
tors. eta vs tors. theta energy: -155.332
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: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1776.998802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.998802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.998802 (E_RNA)
where:
Base-Base interactions energy: -1089.375
where: short stacking energy: -517.106
Base-Backbone interact. energy: -2.181
local terms energy: -685.443040
where:
bonds (distance) C4'-P energy: -153.704
bonds (distance) P-C4' energy: -151.712
flat angles C4'-P-C4' energy: -159.954
flat angles P-C4'-P energy: -105.664
tors. eta vs tors. theta energy: -114.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1513.270829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.270829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.270829 (E_RNA)
where:
Base-Base interactions energy: -941.576
where: short stacking energy: -436.417
Base-Backbone interact. energy: 0.738
local terms energy: -572.432020
where:
bonds (distance) C4'-P energy: -133.923
bonds (distance) P-C4' energy: -135.365
flat angles C4'-P-C4' energy: -158.856
flat angles P-C4'-P energy: -82.507
tors. eta vs tors. theta energy: -61.782
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: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1024.722492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.722492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.722492 (E_RNA)
where:
Base-Base interactions energy: -525.607
where: short stacking energy: -282.390
Base-Backbone interact. energy: -0.931
local terms energy: -498.184470
where:
bonds (distance) C4'-P energy: -166.204
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -128.803
flat angles P-C4'-P energy: -87.089
tors. eta vs tors. theta energy: 4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -820.704753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.704753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.704753 (E_RNA)
where:
Base-Base interactions energy: -370.923
where: short stacking energy: -216.656
Base-Backbone interact. energy: 9.533
local terms energy: -459.314926
where:
bonds (distance) C4'-P energy: -130.731
bonds (distance) P-C4' energy: -148.723
flat angles C4'-P-C4' energy: -131.268
flat angles P-C4'-P energy: -67.363
tors. eta vs tors. theta energy: 18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2938.510842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.510842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.510842 (E_RNA)
where:
Base-Base interactions energy: -2006.658
where: short stacking energy: -832.206
Base-Backbone interact. energy: 1.097
local terms energy: -932.949758
where:
bonds (distance) C4'-P energy: -185.966
bonds (distance) P-C4' energy: -187.596
flat angles C4'-P-C4' energy: -202.680
flat angles P-C4'-P energy: -123.310
tors. eta vs tors. theta energy: -233.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2874.955911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.955911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.955911 (E_RNA)
where:
Base-Base interactions energy: -1974.482
where: short stacking energy: -831.444
Base-Backbone interact. energy: -0.878
local terms energy: -899.596435
where:
bonds (distance) C4'-P energy: -163.560
bonds (distance) P-C4' energy: -182.820
flat angles C4'-P-C4' energy: -199.772
flat angles P-C4'-P energy: -116.213
tors. eta vs tors. theta energy: -237.231
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: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2634.030023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.030023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.030023 (E_RNA)
where:
Base-Base interactions energy: -1764.791
where: short stacking energy: -759.141
Base-Backbone interact. energy: -5.869
local terms energy: -863.370111
where:
bonds (distance) C4'-P energy: -174.693
bonds (distance) P-C4' energy: -168.455
flat angles C4'-P-C4' energy: -183.358
flat angles P-C4'-P energy: -112.030
tors. eta vs tors. theta energy: -224.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2380.590943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.590943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.590943 (E_RNA)
where:
Base-Base interactions energy: -1572.967
where: short stacking energy: -684.195
Base-Backbone interact. energy: -4.615
local terms energy: -803.008548
where:
bonds (distance) C4'-P energy: -168.575
bonds (distance) P-C4' energy: -166.794
flat angles C4'-P-C4' energy: -168.576
flat angles P-C4'-P energy: -119.472
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2212.148492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.148492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.148492 (E_RNA)
where:
Base-Base interactions energy: -1423.050
where: short stacking energy: -662.651
Base-Backbone interact. energy: -2.861
local terms energy: -786.237169
where:
bonds (distance) C4'-P energy: -157.671
bonds (distance) P-C4' energy: -166.502
flat angles C4'-P-C4' energy: -179.122
flat angles P-C4'-P energy: -112.372
tors. eta vs tors. theta energy: -170.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2163.714389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.714389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.714389 (E_RNA)
where:
Base-Base interactions energy: -1385.826
where: short stacking energy: -620.875
Base-Backbone interact. energy: 1.322
local terms energy: -779.210424
where:
bonds (distance) C4'-P energy: -160.601
bonds (distance) P-C4' energy: -151.995
flat angles C4'-P-C4' energy: -185.338
flat angles P-C4'-P energy: -110.029
tors. eta vs tors. theta energy: -171.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1711.552951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.552951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.552951 (E_RNA)
where:
Base-Base interactions energy: -1012.315
where: short stacking energy: -501.786
Base-Backbone interact. energy: -2.362
local terms energy: -696.876566
where:
bonds (distance) C4'-P energy: -137.101
bonds (distance) P-C4' energy: -163.644
flat angles C4'-P-C4' energy: -166.278
flat angles P-C4'-P energy: -131.015
tors. eta vs tors. theta energy: -98.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1588.361416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.361416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.361416 (E_RNA)
where:
Base-Base interactions energy: -946.051
where: short stacking energy: -421.731
Base-Backbone interact. energy: -5.067
local terms energy: -637.243381
where:
bonds (distance) C4'-P energy: -149.414
bonds (distance) P-C4' energy: -160.026
flat angles C4'-P-C4' energy: -150.808
flat angles P-C4'-P energy: -105.641
tors. eta vs tors. theta energy: -71.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1068.334702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.334702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.334702 (E_RNA)
where:
Base-Base interactions energy: -556.299
where: short stacking energy: -297.749
Base-Backbone interact. energy: 2.111
local terms energy: -514.146564
where:
bonds (distance) C4'-P energy: -130.329
bonds (distance) P-C4' energy: -159.337
flat angles C4'-P-C4' energy: -143.560
flat angles P-C4'-P energy: -75.582
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -801.081655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.081655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.081655 (E_RNA)
where:
Base-Base interactions energy: -347.652
where: short stacking energy: -207.914
Base-Backbone interact. energy: -1.070
local terms energy: -452.359273
where:
bonds (distance) C4'-P energy: -164.617
bonds (distance) P-C4' energy: -139.142
flat angles C4'-P-C4' energy: -104.711
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: 25.202
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: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2932.477474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.477474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.477474 (E_RNA)
where:
Base-Base interactions energy: -2002.378
where: short stacking energy: -811.222
Base-Backbone interact. energy: -0.848
local terms energy: -929.251319
where:
bonds (distance) C4'-P energy: -189.795
bonds (distance) P-C4' energy: -178.599
flat angles C4'-P-C4' energy: -189.173
flat angles P-C4'-P energy: -131.857
tors. eta vs tors. theta energy: -239.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2873.054406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.054406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.054406 (E_RNA)
where:
Base-Base interactions energy: -1969.698
where: short stacking energy: -833.966
Base-Backbone interact. energy: 2.262
local terms energy: -905.617771
where:
bonds (distance) C4'-P energy: -170.371
bonds (distance) P-C4' energy: -164.911
flat angles C4'-P-C4' energy: -194.787
flat angles P-C4'-P energy: -132.621
tors. eta vs tors. theta energy: -242.928
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: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2710.623108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.623108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.623108 (E_RNA)
where:
Base-Base interactions energy: -1820.087
where: short stacking energy: -793.126
Base-Backbone interact. energy: -3.416
local terms energy: -887.119931
where:
bonds (distance) C4'-P energy: -181.067
bonds (distance) P-C4' energy: -152.599
flat angles C4'-P-C4' energy: -190.547
flat angles P-C4'-P energy: -123.035
tors. eta vs tors. theta energy: -239.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2434.266551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.266551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.266551 (E_RNA)
where:
Base-Base interactions energy: -1639.224
where: short stacking energy: -732.409
Base-Backbone interact. energy: -4.115
local terms energy: -790.927245
where:
bonds (distance) C4'-P energy: -155.287
bonds (distance) P-C4' energy: -151.629
flat angles C4'-P-C4' energy: -197.539
flat angles P-C4'-P energy: -115.293
tors. eta vs tors. theta energy: -171.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2258.242609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.242609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.242609 (E_RNA)
where:
Base-Base interactions energy: -1446.672
where: short stacking energy: -672.521
Base-Backbone interact. energy: -0.931
local terms energy: -810.639282
where:
bonds (distance) C4'-P energy: -170.750
bonds (distance) P-C4' energy: -156.712
flat angles C4'-P-C4' energy: -181.423
flat angles P-C4'-P energy: -111.928
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: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2097.165067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.165067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.165067 (E_RNA)
where:
Base-Base interactions energy: -1382.291
where: short stacking energy: -623.733
Base-Backbone interact. energy: 0.163
local terms energy: -715.036306
where:
bonds (distance) C4'-P energy: -143.483
bonds (distance) P-C4' energy: -157.664
flat angles C4'-P-C4' energy: -160.565
flat angles P-C4'-P energy: -94.915
tors. eta vs tors. theta energy: -158.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1783.991667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.991667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.991667 (E_RNA)
where:
Base-Base interactions energy: -1149.959
where: short stacking energy: -551.589
Base-Backbone interact. energy: 6.991
local terms energy: -641.023456
where:
bonds (distance) C4'-P energy: -138.797
bonds (distance) P-C4' energy: -125.847
flat angles C4'-P-C4' energy: -152.918
flat angles P-C4'-P energy: -108.832
tors. eta vs tors. theta energy: -114.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1458.690576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.690576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.690576 (E_RNA)
where:
Base-Base interactions energy: -864.146
where: short stacking energy: -404.772
Base-Backbone interact. energy: -0.958
local terms energy: -593.586102
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -167.135
flat angles C4'-P-C4' energy: -150.836
flat angles P-C4'-P energy: -83.768
tors. eta vs tors. theta energy: -52.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1106.366476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.366476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.366476 (E_RNA)
where:
Base-Base interactions energy: -554.161
where: short stacking energy: -312.648
Base-Backbone interact. energy: 3.625
local terms energy: -555.830698
where:
bonds (distance) C4'-P energy: -155.052
bonds (distance) P-C4' energy: -149.786
flat angles C4'-P-C4' energy: -113.087
flat angles P-C4'-P energy: -98.542
tors. eta vs tors. theta energy: -39.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -773.900499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.900499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.900499 (E_RNA)
where:
Base-Base interactions energy: -360.950
where: short stacking energy: -209.445
Base-Backbone interact. energy: 5.284
local terms energy: -418.234936
where:
bonds (distance) C4'-P energy: -143.339
bonds (distance) P-C4' energy: -140.298
flat angles C4'-P-C4' energy: -89.981
flat angles P-C4'-P energy: -63.657
tors. eta vs tors. theta energy: 19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2942.345965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.345965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.345965 (E_RNA)
where:
Base-Base interactions energy: -2007.200
where: short stacking energy: -833.773
Base-Backbone interact. energy: 1.832
local terms energy: -936.977883
where:
bonds (distance) C4'-P energy: -189.555
bonds (distance) P-C4' energy: -181.644
flat angles C4'-P-C4' energy: -209.526
flat angles P-C4'-P energy: -119.530
tors. eta vs tors. theta energy: -236.723
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2855.246913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.246913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.246913 (E_RNA)
where:
Base-Base interactions energy: -1934.876
where: short stacking energy: -834.599
Base-Backbone interact. energy: -5.922
local terms energy: -914.448818
where:
bonds (distance) C4'-P energy: -171.367
bonds (distance) P-C4' energy: -178.916
flat angles C4'-P-C4' energy: -204.761
flat angles P-C4'-P energy: -120.237
tors. eta vs tors. theta energy: -239.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2720.350187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.350187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.350187 (E_RNA)
where:
Base-Base interactions energy: -1872.063
where: short stacking energy: -790.763
Base-Backbone interact. energy: 0.042
local terms energy: -848.328875
where:
bonds (distance) C4'-P energy: -166.056
bonds (distance) P-C4' energy: -152.591
flat angles C4'-P-C4' energy: -183.459
flat angles P-C4'-P energy: -118.440
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: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2340.356320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.356320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.356320 (E_RNA)
where:
Base-Base interactions energy: -1573.856
where: short stacking energy: -653.345
Base-Backbone interact. energy: 0.508
local terms energy: -767.008204
where:
bonds (distance) C4'-P energy: -153.917
bonds (distance) P-C4' energy: -179.658
flat angles C4'-P-C4' energy: -166.844
flat angles P-C4'-P energy: -106.880
tors. eta vs tors. theta energy: -159.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2333.973803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.973803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.973803 (E_RNA)
where:
Base-Base interactions energy: -1538.606
where: short stacking energy: -649.190
Base-Backbone interact. energy: -0.519
local terms energy: -794.848113
where:
bonds (distance) C4'-P energy: -137.589
bonds (distance) P-C4' energy: -151.944
flat angles C4'-P-C4' energy: -187.228
flat angles P-C4'-P energy: -120.493
tors. eta vs tors. theta energy: -197.593
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: 93
Temperature: 1.150000
Total energy: -2117.448131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.448131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.448131 (E_RNA)
where:
Base-Base interactions energy: -1376.290
where: short stacking energy: -624.044
Base-Backbone interact. energy: -3.312
local terms energy: -737.846900
where:
bonds (distance) C4'-P energy: -160.032
bonds (distance) P-C4' energy: -134.564
flat angles C4'-P-C4' energy: -179.579
flat angles P-C4'-P energy: -108.276
tors. eta vs tors. theta energy: -155.396
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1768.397807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.397807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.397807 (E_RNA)
where:
Base-Base interactions energy: -1133.513
where: short stacking energy: -519.551
Base-Backbone interact. energy: -1.198
local terms energy: -633.686395
where:
bonds (distance) C4'-P energy: -139.229
bonds (distance) P-C4' energy: -133.787
flat angles C4'-P-C4' energy: -155.640
flat angles P-C4'-P energy: -111.716
tors. eta vs tors. theta energy: -93.315
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: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1469.505588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.505588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.505588 (E_RNA)
where:
Base-Base interactions energy: -861.143
where: short stacking energy: -413.076
Base-Backbone interact. energy: 3.321
local terms energy: -611.683172
where:
bonds (distance) C4'-P energy: -145.873
bonds (distance) P-C4' energy: -158.436
flat angles C4'-P-C4' energy: -140.227
flat angles P-C4'-P energy: -107.073
tors. eta vs tors. theta energy: -60.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1170.867615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.867615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.867615 (E_RNA)
where:
Base-Base interactions energy: -623.180
where: short stacking energy: -313.304
Base-Backbone interact. energy: 6.185
local terms energy: -553.872482
where:
bonds (distance) C4'-P energy: -157.795
bonds (distance) P-C4' energy: -150.699
flat angles C4'-P-C4' energy: -146.935
flat angles P-C4'-P energy: -69.758
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -860.019011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.019011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.019011 (E_RNA)
where:
Base-Base interactions energy: -380.850
where: short stacking energy: -225.735
Base-Backbone interact. energy: -0.546
local terms energy: -478.623188
where:
bonds (distance) C4'-P energy: -117.863
bonds (distance) P-C4' energy: -153.404
flat angles C4'-P-C4' energy: -151.489
flat angles P-C4'-P energy: -72.951
tors. eta vs tors. theta energy: 17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2968.264803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.264803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.264803 (E_RNA)
where:
Base-Base interactions energy: -2022.060
where: short stacking energy: -845.864
Base-Backbone interact. energy: -6.045
local terms energy: -940.159599
where:
bonds (distance) C4'-P energy: -196.137
bonds (distance) P-C4' energy: -184.414
flat angles C4'-P-C4' energy: -198.113
flat angles P-C4'-P energy: -129.266
tors. eta vs tors. theta energy: -232.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2842.524830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.524830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.524830 (E_RNA)
where:
Base-Base interactions energy: -1920.525
where: short stacking energy: -811.840
Base-Backbone interact. energy: -4.914
local terms energy: -917.085990
where:
bonds (distance) C4'-P energy: -178.722
bonds (distance) P-C4' energy: -178.820
flat angles C4'-P-C4' energy: -192.049
flat angles P-C4'-P energy: -125.201
tors. eta vs tors. theta energy: -242.293
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: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2720.083650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.083650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.083650 (E_RNA)
where:
Base-Base interactions energy: -1802.975
where: short stacking energy: -758.272
Base-Backbone interact. energy: -6.086
local terms energy: -911.022701
where:
bonds (distance) C4'-P energy: -168.489
bonds (distance) P-C4' energy: -173.697
flat angles C4'-P-C4' energy: -205.388
flat angles P-C4'-P energy: -130.157
tors. eta vs tors. theta energy: -233.292
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: 94
Temperature: 1.050000
Total energy: -2422.931946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.931946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.931946 (E_RNA)
where:
Base-Base interactions energy: -1600.690
where: short stacking energy: -697.377
Base-Backbone interact. energy: 2.141
local terms energy: -824.382735
where:
bonds (distance) C4'-P energy: -168.703
bonds (distance) P-C4' energy: -193.087
flat angles C4'-P-C4' energy: -167.472
flat angles P-C4'-P energy: -107.877
tors. eta vs tors. theta energy: -187.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2308.536741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.536741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.536741 (E_RNA)
where:
Base-Base interactions energy: -1501.661
where: short stacking energy: -667.558
Base-Backbone interact. energy: 6.805
local terms energy: -813.681010
where:
bonds (distance) C4'-P energy: -166.710
bonds (distance) P-C4' energy: -167.759
flat angles C4'-P-C4' energy: -178.368
flat angles P-C4'-P energy: -116.135
tors. eta vs tors. theta energy: -184.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2099.994254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.994254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.994254 (E_RNA)
where:
Base-Base interactions energy: -1360.941
where: short stacking energy: -629.631
Base-Backbone interact. energy: -2.013
local terms energy: -737.039740
where:
bonds (distance) C4'-P energy: -159.745
bonds (distance) P-C4' energy: -158.141
flat angles C4'-P-C4' energy: -160.724
flat angles P-C4'-P energy: -87.592
tors. eta vs tors. theta energy: -170.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1726.747328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.747328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.747328 (E_RNA)
where:
Base-Base interactions energy: -1076.562
where: short stacking energy: -501.446
Base-Backbone interact. energy: 1.178
local terms energy: -651.362738
where:
bonds (distance) C4'-P energy: -149.248
bonds (distance) P-C4' energy: -165.567
flat angles C4'-P-C4' energy: -140.335
flat angles P-C4'-P energy: -90.003
tors. eta vs tors. theta energy: -106.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1438.159960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.159960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.159960 (E_RNA)
where:
Base-Base interactions energy: -846.227
where: short stacking energy: -406.022
Base-Backbone interact. energy: 0.648
local terms energy: -592.580825
where:
bonds (distance) C4'-P energy: -148.558
bonds (distance) P-C4' energy: -136.734
flat angles C4'-P-C4' energy: -165.835
flat angles P-C4'-P energy: -84.596
tors. eta vs tors. theta energy: -56.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1103.787844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.787844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.787844 (E_RNA)
where:
Base-Base interactions energy: -614.912
where: short stacking energy: -312.495
Base-Backbone interact. energy: -4.027
local terms energy: -484.848238
where:
bonds (distance) C4'-P energy: -157.051
bonds (distance) P-C4' energy: -117.896
flat angles C4'-P-C4' energy: -137.543
flat angles P-C4'-P energy: -75.105
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -806.567376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.567376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.567376 (E_RNA)
where:
Base-Base interactions energy: -363.961
where: short stacking energy: -233.993
Base-Backbone interact. energy: 5.645
local terms energy: -448.250770
where:
bonds (distance) C4'-P energy: -129.896
bonds (distance) P-C4' energy: -140.483
flat angles C4'-P-C4' energy: -132.170
flat angles P-C4'-P energy: -76.151
tors. eta vs tors. theta energy: 30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2959.095125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.095125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.095125 (E_RNA)
where:
Base-Base interactions energy: -2041.990
where: short stacking energy: -860.777
Base-Backbone interact. energy: -0.272
local terms energy: -916.833355
where:
bonds (distance) C4'-P energy: -157.790
bonds (distance) P-C4' energy: -195.477
flat angles C4'-P-C4' energy: -197.826
flat angles P-C4'-P energy: -127.880
tors. eta vs tors. theta energy: -237.861
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2877.855703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.855703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.855703 (E_RNA)
where:
Base-Base interactions energy: -1954.397
where: short stacking energy: -820.473
Base-Backbone interact. energy: -2.991
local terms energy: -920.467805
where:
bonds (distance) C4'-P energy: -149.991
bonds (distance) P-C4' energy: -180.273
flat angles C4'-P-C4' energy: -193.171
flat angles P-C4'-P energy: -139.836
tors. eta vs tors. theta energy: -257.196
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: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2723.488447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.488447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.488447 (E_RNA)
where:
Base-Base interactions energy: -1845.227
where: short stacking energy: -784.323
Base-Backbone interact. energy: -4.685
local terms energy: -873.576126
where:
bonds (distance) C4'-P energy: -166.551
bonds (distance) P-C4' energy: -184.818
flat angles C4'-P-C4' energy: -194.687
flat angles P-C4'-P energy: -101.454
tors. eta vs tors. theta energy: -226.065
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: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2420.687775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.687775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.687775 (E_RNA)
where:
Base-Base interactions energy: -1599.961
where: short stacking energy: -667.828
Base-Backbone interact. energy: -2.691
local terms energy: -818.035671
where:
bonds (distance) C4'-P energy: -171.458
bonds (distance) P-C4' energy: -172.901
flat angles C4'-P-C4' energy: -177.503
flat angles P-C4'-P energy: -108.347
tors. eta vs tors. theta energy: -187.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2345.736213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.736213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.736213 (E_RNA)
where:
Base-Base interactions energy: -1529.947
where: short stacking energy: -687.774
Base-Backbone interact. energy: -1.672
local terms energy: -814.117402
where:
bonds (distance) C4'-P energy: -153.750
bonds (distance) P-C4' energy: -161.496
flat angles C4'-P-C4' energy: -182.278
flat angles P-C4'-P energy: -121.394
tors. eta vs tors. theta energy: -195.199
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: 95
Temperature: 1.150000
Total energy: -2087.086261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.086261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.086261 (E_RNA)
where:
Base-Base interactions energy: -1338.310
where: short stacking energy: -623.514
Base-Backbone interact. energy: -2.742
local terms energy: -746.034060
where:
bonds (distance) C4'-P energy: -145.185
bonds (distance) P-C4' energy: -166.792
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -110.678
tors. eta vs tors. theta energy: -156.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1611.902766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.902766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.902766 (E_RNA)
where:
Base-Base interactions energy: -977.852
where: short stacking energy: -423.014
Base-Backbone interact. energy: -2.667
local terms energy: -631.383717
where:
bonds (distance) C4'-P energy: -150.784
bonds (distance) P-C4' energy: -157.020
flat angles C4'-P-C4' energy: -150.119
flat angles P-C4'-P energy: -93.023
tors. eta vs tors. theta energy: -80.437
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: 95
Temperature: 1.250000
Total energy: -1434.674734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.674734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.674734 (E_RNA)
where:
Base-Base interactions energy: -840.158
where: short stacking energy: -408.891
Base-Backbone interact. energy: -5.630
local terms energy: -588.886122
where:
bonds (distance) C4'-P energy: -149.872
bonds (distance) P-C4' energy: -160.805
flat angles C4'-P-C4' energy: -147.059
flat angles P-C4'-P energy: -84.513
tors. eta vs tors. theta energy: -46.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1114.355377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.355377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.355377 (E_RNA)
where:
Base-Base interactions energy: -607.332
where: short stacking energy: -316.102
Base-Backbone interact. energy: -0.472
local terms energy: -506.551604
where:
bonds (distance) C4'-P energy: -144.024
bonds (distance) P-C4' energy: -159.462
flat angles C4'-P-C4' energy: -121.413
flat angles P-C4'-P energy: -65.954
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -802.556580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.556580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.556580 (E_RNA)
where:
Base-Base interactions energy: -375.881
where: short stacking energy: -230.191
Base-Backbone interact. energy: -0.445
local terms energy: -426.230108
where:
bonds (distance) C4'-P energy: -133.910
bonds (distance) P-C4' energy: -124.486
flat angles C4'-P-C4' energy: -120.504
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: 15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -3001.968016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.968016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.968016 (E_RNA)
where:
Base-Base interactions energy: -2042.417
where: short stacking energy: -855.249
Base-Backbone interact. energy: -2.112
local terms energy: -957.438845
where:
bonds (distance) C4'-P energy: -171.007
bonds (distance) P-C4' energy: -171.152
flat angles C4'-P-C4' energy: -207.597
flat angles P-C4'-P energy: -145.877
tors. eta vs tors. theta energy: -261.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2840.846095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.846095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.846095 (E_RNA)
where:
Base-Base interactions energy: -1954.203
where: short stacking energy: -807.641
Base-Backbone interact. energy: -4.104
local terms energy: -882.538683
where:
bonds (distance) C4'-P energy: -140.557
bonds (distance) P-C4' energy: -186.119
flat angles C4'-P-C4' energy: -200.094
flat angles P-C4'-P energy: -123.464
tors. eta vs tors. theta energy: -232.304
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: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2690.936129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.936129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.936129 (E_RNA)
where:
Base-Base interactions energy: -1815.093
where: short stacking energy: -757.585
Base-Backbone interact. energy: -2.405
local terms energy: -873.438630
where:
bonds (distance) C4'-P energy: -174.468
bonds (distance) P-C4' energy: -164.607
flat angles C4'-P-C4' energy: -187.272
flat angles P-C4'-P energy: -131.529
tors. eta vs tors. theta energy: -215.563
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2436.647776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.647776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.647776 (E_RNA)
where:
Base-Base interactions energy: -1598.796
where: short stacking energy: -675.087
Base-Backbone interact. energy: -1.483
local terms energy: -836.368503
where:
bonds (distance) C4'-P energy: -175.854
bonds (distance) P-C4' energy: -169.845
flat angles C4'-P-C4' energy: -192.237
flat angles P-C4'-P energy: -105.977
tors. eta vs tors. theta energy: -192.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2354.405747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.405747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.405747 (E_RNA)
where:
Base-Base interactions energy: -1526.989
where: short stacking energy: -647.993
Base-Backbone interact. energy: -0.656
local terms energy: -826.761162
where:
bonds (distance) C4'-P energy: -164.577
bonds (distance) P-C4' energy: -161.925
flat angles C4'-P-C4' energy: -193.266
flat angles P-C4'-P energy: -124.039
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: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1990.917662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.917662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.917662 (E_RNA)
where:
Base-Base interactions energy: -1283.368
where: short stacking energy: -572.324
Base-Backbone interact. energy: 1.879
local terms energy: -709.428222
where:
bonds (distance) C4'-P energy: -141.650
bonds (distance) P-C4' energy: -154.784
flat angles C4'-P-C4' energy: -166.811
flat angles P-C4'-P energy: -99.217
tors. eta vs tors. theta energy: -146.967
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: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1548.350800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.350800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.350800 (E_RNA)
where:
Base-Base interactions energy: -909.886
where: short stacking energy: -417.423
Base-Backbone interact. energy: -0.704
local terms energy: -637.760644
where:
bonds (distance) C4'-P energy: -164.268
bonds (distance) P-C4' energy: -166.910
flat angles C4'-P-C4' energy: -169.979
flat angles P-C4'-P energy: -76.712
tors. eta vs tors. theta energy: -59.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1553.236775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.236775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.236775 (E_RNA)
where:
Base-Base interactions energy: -993.283
where: short stacking energy: -432.688
Base-Backbone interact. energy: 0.845
local terms energy: -560.798104
where:
bonds (distance) C4'-P energy: -135.069
bonds (distance) P-C4' energy: -132.406
flat angles C4'-P-C4' energy: -150.161
flat angles P-C4'-P energy: -73.903
tors. eta vs tors. theta energy: -69.260
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: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1099.526678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.526678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.526678 (E_RNA)
where:
Base-Base interactions energy: -618.366
where: short stacking energy: -303.960
Base-Backbone interact. energy: 0.619
local terms energy: -481.779235
where:
bonds (distance) C4'-P energy: -142.402
bonds (distance) P-C4' energy: -155.157
flat angles C4'-P-C4' energy: -128.437
flat angles P-C4'-P energy: -64.491
tors. eta vs tors. theta energy: 8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -774.411618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.411618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.411618 (E_RNA)
where:
Base-Base interactions energy: -301.363
where: short stacking energy: -189.328
Base-Backbone interact. energy: 2.078
local terms energy: -475.126909
where:
bonds (distance) C4'-P energy: -161.060
bonds (distance) P-C4' energy: -157.168
flat angles C4'-P-C4' energy: -130.476
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: 37.265
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: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -3028.684839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.684839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.684839 (E_RNA)
where:
Base-Base interactions energy: -2069.484
where: short stacking energy: -844.793
Base-Backbone interact. energy: -4.897
local terms energy: -954.304015
where:
bonds (distance) C4'-P energy: -178.201
bonds (distance) P-C4' energy: -176.756
flat angles C4'-P-C4' energy: -196.570
flat angles P-C4'-P energy: -143.995
tors. eta vs tors. theta energy: -258.782
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: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2839.468430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.468430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.468430 (E_RNA)
where:
Base-Base interactions energy: -1937.602
where: short stacking energy: -783.776
Base-Backbone interact. energy: -0.249
local terms energy: -901.617316
where:
bonds (distance) C4'-P energy: -181.752
bonds (distance) P-C4' energy: -178.410
flat angles C4'-P-C4' energy: -186.743
flat angles P-C4'-P energy: -129.246
tors. eta vs tors. theta energy: -225.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2695.664715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.664715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.664715 (E_RNA)
where:
Base-Base interactions energy: -1814.246
where: short stacking energy: -771.090
Base-Backbone interact. energy: -3.364
local terms energy: -878.055193
where:
bonds (distance) C4'-P energy: -173.909
bonds (distance) P-C4' energy: -172.543
flat angles C4'-P-C4' energy: -194.291
flat angles P-C4'-P energy: -113.068
tors. eta vs tors. theta energy: -224.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2418.776510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.776510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.776510 (E_RNA)
where:
Base-Base interactions energy: -1614.785
where: short stacking energy: -692.753
Base-Backbone interact. energy: -4.913
local terms energy: -799.078525
where:
bonds (distance) C4'-P energy: -178.389
bonds (distance) P-C4' energy: -164.644
flat angles C4'-P-C4' energy: -186.806
flat angles P-C4'-P energy: -97.348
tors. eta vs tors. theta energy: -171.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2383.268006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.268006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.268006 (E_RNA)
where:
Base-Base interactions energy: -1595.982
where: short stacking energy: -684.378
Base-Backbone interact. energy: -2.000
local terms energy: -785.285909
where:
bonds (distance) C4'-P energy: -156.950
bonds (distance) P-C4' energy: -159.662
flat angles C4'-P-C4' energy: -173.041
flat angles P-C4'-P energy: -106.102
tors. eta vs tors. theta energy: -189.531
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2083.668320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.668320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.668320 (E_RNA)
where:
Base-Base interactions energy: -1317.425
where: short stacking energy: -579.921
Base-Backbone interact. energy: -1.130
local terms energy: -765.113750
where:
bonds (distance) C4'-P energy: -151.716
bonds (distance) P-C4' energy: -164.488
flat angles C4'-P-C4' energy: -181.596
flat angles P-C4'-P energy: -120.008
tors. eta vs tors. theta energy: -147.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1519.395530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.395530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.395530 (E_RNA)
where:
Base-Base interactions energy: -923.660
where: short stacking energy: -413.297
Base-Backbone interact. energy: -1.545
local terms energy: -594.190725
where:
bonds (distance) C4'-P energy: -136.259
bonds (distance) P-C4' energy: -153.575
flat angles C4'-P-C4' energy: -138.392
flat angles P-C4'-P energy: -104.818
tors. eta vs tors. theta energy: -61.147
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: 97
Temperature: 1.250000
Total energy: -1523.008567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.008567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.008567 (E_RNA)
where:
Base-Base interactions energy: -917.861
where: short stacking energy: -420.997
Base-Backbone interact. energy: -4.003
local terms energy: -601.144649
where:
bonds (distance) C4'-P energy: -158.080
bonds (distance) P-C4' energy: -147.982
flat angles C4'-P-C4' energy: -142.215
flat angles P-C4'-P energy: -92.328
tors. eta vs tors. theta energy: -60.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1027.968854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.968854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.968854 (E_RNA)
where:
Base-Base interactions energy: -509.266
where: short stacking energy: -286.921
Base-Backbone interact. energy: 0.095
local terms energy: -518.798197
where:
bonds (distance) C4'-P energy: -125.864
bonds (distance) P-C4' energy: -182.513
flat angles C4'-P-C4' energy: -148.620
flat angles P-C4'-P energy: -68.998
tors. eta vs tors. theta energy: 7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -793.749605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.749605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.749605 (E_RNA)
where:
Base-Base interactions energy: -380.258
where: short stacking energy: -221.196
Base-Backbone interact. energy: -0.688
local terms energy: -412.803672
where:
bonds (distance) C4'-P energy: -127.258
bonds (distance) P-C4' energy: -128.188
flat angles C4'-P-C4' energy: -123.548
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: 35.171
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -3020.309307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.309307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.309307 (E_RNA)
where:
Base-Base interactions energy: -2061.424
where: short stacking energy: -863.254
Base-Backbone interact. energy: -7.467
local terms energy: -951.417621
where:
bonds (distance) C4'-P energy: -163.121
bonds (distance) P-C4' energy: -184.396
flat angles C4'-P-C4' energy: -199.021
flat angles P-C4'-P energy: -143.682
tors. eta vs tors. theta energy: -261.198
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: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2848.249820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.249820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.249820 (E_RNA)
where:
Base-Base interactions energy: -1919.580
where: short stacking energy: -792.589
Base-Backbone interact. energy: -5.668
local terms energy: -923.001517
where:
bonds (distance) C4'-P energy: -172.091
bonds (distance) P-C4' energy: -192.870
flat angles C4'-P-C4' energy: -198.315
flat angles P-C4'-P energy: -138.904
tors. eta vs tors. theta energy: -220.821
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: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2682.592345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.592345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.592345 (E_RNA)
where:
Base-Base interactions energy: -1807.295
where: short stacking energy: -786.949
Base-Backbone interact. energy: 1.585
local terms energy: -876.882069
where:
bonds (distance) C4'-P energy: -168.908
bonds (distance) P-C4' energy: -182.982
flat angles C4'-P-C4' energy: -195.473
flat angles P-C4'-P energy: -111.884
tors. eta vs tors. theta energy: -217.635
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: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2436.535453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.535453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.535453 (E_RNA)
where:
Base-Base interactions energy: -1609.938
where: short stacking energy: -658.055
Base-Backbone interact. energy: -2.208
local terms energy: -824.389497
where:
bonds (distance) C4'-P energy: -183.892
bonds (distance) P-C4' energy: -180.902
flat angles C4'-P-C4' energy: -191.269
flat angles P-C4'-P energy: -126.969
tors. eta vs tors. theta energy: -141.358
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: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2315.816329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.816329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.816329 (E_RNA)
where:
Base-Base interactions energy: -1555.276
where: short stacking energy: -687.905
Base-Backbone interact. energy: 0.333
local terms energy: -760.873797
where:
bonds (distance) C4'-P energy: -157.245
bonds (distance) P-C4' energy: -154.045
flat angles C4'-P-C4' energy: -159.261
flat angles P-C4'-P energy: -111.348
tors. eta vs tors. theta energy: -178.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2086.905022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.905022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.905022 (E_RNA)
where:
Base-Base interactions energy: -1325.776
where: short stacking energy: -608.800
Base-Backbone interact. energy: -1.158
local terms energy: -759.971414
where:
bonds (distance) C4'-P energy: -162.348
bonds (distance) P-C4' energy: -164.900
flat angles C4'-P-C4' energy: -178.800
flat angles P-C4'-P energy: -97.898
tors. eta vs tors. theta energy: -156.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1572.363622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.363622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.363622 (E_RNA)
where:
Base-Base interactions energy: -908.155
where: short stacking energy: -431.348
Base-Backbone interact. energy: -4.452
local terms energy: -659.755983
where:
bonds (distance) C4'-P energy: -153.765
bonds (distance) P-C4' energy: -155.791
flat angles C4'-P-C4' energy: -164.443
flat angles P-C4'-P energy: -112.769
tors. eta vs tors. theta energy: -72.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1435.227666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.227666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.227666 (E_RNA)
where:
Base-Base interactions energy: -860.014
where: short stacking energy: -407.114
Base-Backbone interact. energy: 4.690
local terms energy: -579.903055
where:
bonds (distance) C4'-P energy: -136.925
bonds (distance) P-C4' energy: -153.354
flat angles C4'-P-C4' energy: -133.279
flat angles P-C4'-P energy: -104.767
tors. eta vs tors. theta energy: -51.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1007.335996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.335996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.335996 (E_RNA)
where:
Base-Base interactions energy: -504.146
where: short stacking energy: -269.641
Base-Backbone interact. energy: -3.485
local terms energy: -499.705102
where:
bonds (distance) C4'-P energy: -144.806
bonds (distance) P-C4' energy: -146.019
flat angles C4'-P-C4' energy: -143.329
flat angles P-C4'-P energy: -56.882
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -762.140881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.140881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.140881 (E_RNA)
where:
Base-Base interactions energy: -317.422
where: short stacking energy: -192.814
Base-Backbone interact. energy: 1.220
local terms energy: -445.939410
where:
bonds (distance) C4'-P energy: -131.830
bonds (distance) P-C4' energy: -157.834
flat angles C4'-P-C4' energy: -134.026
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: 31.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -3040.903272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.903272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.903272 (E_RNA)
where:
Base-Base interactions energy: -2081.884
where: short stacking energy: -890.562
Base-Backbone interact. energy: -1.634
local terms energy: -957.385856
where:
bonds (distance) C4'-P energy: -166.711
bonds (distance) P-C4' energy: -182.156
flat angles C4'-P-C4' energy: -199.087
flat angles P-C4'-P energy: -138.999
tors. eta vs tors. theta energy: -270.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2838.783395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.783395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.783395 (E_RNA)
where:
Base-Base interactions energy: -1941.294
where: short stacking energy: -797.332
Base-Backbone interact. energy: -4.472
local terms energy: -893.017172
where:
bonds (distance) C4'-P energy: -191.222
bonds (distance) P-C4' energy: -167.787
flat angles C4'-P-C4' energy: -193.110
flat angles P-C4'-P energy: -132.019
tors. eta vs tors. theta energy: -208.879
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: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2684.063959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.063959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.063959 (E_RNA)
where:
Base-Base interactions energy: -1822.133
where: short stacking energy: -751.724
Base-Backbone interact. energy: -0.603
local terms energy: -861.328372
where:
bonds (distance) C4'-P energy: -160.926
bonds (distance) P-C4' energy: -179.420
flat angles C4'-P-C4' energy: -192.427
flat angles P-C4'-P energy: -115.728
tors. eta vs tors. theta energy: -212.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2497.831407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.831407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.831407 (E_RNA)
where:
Base-Base interactions energy: -1654.962
where: short stacking energy: -760.249
Base-Backbone interact. energy: 4.641
local terms energy: -847.510278
where:
bonds (distance) C4'-P energy: -166.013
bonds (distance) P-C4' energy: -168.514
flat angles C4'-P-C4' energy: -190.148
flat angles P-C4'-P energy: -109.031
tors. eta vs tors. theta energy: -213.804
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: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2255.807825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.807825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.807825 (E_RNA)
where:
Base-Base interactions energy: -1517.130
where: short stacking energy: -634.272
Base-Backbone interact. energy: 1.855
local terms energy: -740.532926
where:
bonds (distance) C4'-P energy: -129.761
bonds (distance) P-C4' energy: -173.623
flat angles C4'-P-C4' energy: -176.416
flat angles P-C4'-P energy: -101.889
tors. eta vs tors. theta energy: -158.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2094.016869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.016869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.016869 (E_RNA)
where:
Base-Base interactions energy: -1348.194
where: short stacking energy: -640.091
Base-Backbone interact. energy: 0.507
local terms energy: -746.330651
where:
bonds (distance) C4'-P energy: -171.851
bonds (distance) P-C4' energy: -161.445
flat angles C4'-P-C4' energy: -177.043
flat angles P-C4'-P energy: -89.270
tors. eta vs tors. theta energy: -146.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1636.678146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.678146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.678146 (E_RNA)
where:
Base-Base interactions energy: -1001.081
where: short stacking energy: -448.825
Base-Backbone interact. energy: -2.128
local terms energy: -633.469318
where:
bonds (distance) C4'-P energy: -160.810
bonds (distance) P-C4' energy: -170.211
flat angles C4'-P-C4' energy: -130.326
flat angles P-C4'-P energy: -93.783
tors. eta vs tors. theta energy: -78.340
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: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1451.666800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.666800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.666800 (E_RNA)
where:
Base-Base interactions energy: -887.789
where: short stacking energy: -434.030
Base-Backbone interact. energy: -1.478
local terms energy: -562.399587
where:
bonds (distance) C4'-P energy: -124.299
bonds (distance) P-C4' energy: -139.507
flat angles C4'-P-C4' energy: -150.731
flat angles P-C4'-P energy: -67.482
tors. eta vs tors. theta energy: -80.380
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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1048.976872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.976872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.976872 (E_RNA)
where:
Base-Base interactions energy: -540.258
where: short stacking energy: -290.104
Base-Backbone interact. energy: 1.946
local terms energy: -510.665134
where:
bonds (distance) C4'-P energy: -145.868
bonds (distance) P-C4' energy: -148.498
flat angles C4'-P-C4' energy: -122.853
flat angles P-C4'-P energy: -94.139
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -759.101447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.101447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.101447 (E_RNA)
where:
Base-Base interactions energy: -341.839
where: short stacking energy: -231.771
Base-Backbone interact. energy: 2.128
local terms energy: -419.389769
where:
bonds (distance) C4'-P energy: -130.866
bonds (distance) P-C4' energy: -127.898
flat angles C4'-P-C4' energy: -109.388
flat angles P-C4'-P energy: -55.582
tors. eta vs tors. theta energy: 4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -3032.663465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.663465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.663465 (E_RNA)
where:
Base-Base interactions energy: -2072.081
where: short stacking energy: -876.482
Base-Backbone interact. energy: -3.073
local terms energy: -957.508976
where:
bonds (distance) C4'-P energy: -179.096
bonds (distance) P-C4' energy: -166.122
flat angles C4'-P-C4' energy: -203.577
flat angles P-C4'-P energy: -143.899
tors. eta vs tors. theta energy: -264.815
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: 100
Temperature: 0.950000
Total energy: -2846.482430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.482430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.482430 (E_RNA)
where:
Base-Base interactions energy: -1938.507
where: short stacking energy: -782.793
Base-Backbone interact. energy: -6.778
local terms energy: -901.197967
where:
bonds (distance) C4'-P energy: -168.445
bonds (distance) P-C4' energy: -182.366
flat angles C4'-P-C4' energy: -205.246
flat angles P-C4'-P energy: -116.059
tors. eta vs tors. theta energy: -229.081
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: 100
Temperature: 1.000000
Total energy: -2676.240752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.240752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.240752 (E_RNA)
where:
Base-Base interactions energy: -1812.794
where: short stacking energy: -761.769
Base-Backbone interact. energy: 3.766
local terms energy: -867.213584
where:
bonds (distance) C4'-P energy: -162.669
bonds (distance) P-C4' energy: -165.278
flat angles C4'-P-C4' energy: -189.700
flat angles P-C4'-P energy: -125.587
tors. eta vs tors. theta energy: -223.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2491.312979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.312979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.312979 (E_RNA)
where:
Base-Base interactions energy: -1657.368
where: short stacking energy: -719.130
Base-Backbone interact. energy: -2.794
local terms energy: -831.150476
where:
bonds (distance) C4'-P energy: -154.746
bonds (distance) P-C4' energy: -148.915
flat angles C4'-P-C4' energy: -193.258
flat angles P-C4'-P energy: -121.008
tors. eta vs tors. theta energy: -213.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2188.157527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.157527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.157527 (E_RNA)
where:
Base-Base interactions energy: -1412.333
where: short stacking energy: -592.905
Base-Backbone interact. energy: -1.611
local terms energy: -774.213495
where:
bonds (distance) C4'-P energy: -160.855
bonds (distance) P-C4' energy: -157.603
flat angles C4'-P-C4' energy: -188.103
flat angles P-C4'-P energy: -115.973
tors. eta vs tors. theta energy: -151.679
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2084.431001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.431001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.431001 (E_RNA)
where:
Base-Base interactions energy: -1376.955
where: short stacking energy: -598.717
Base-Backbone interact. energy: 8.502
local terms energy: -715.978044
where:
bonds (distance) C4'-P energy: -154.618
bonds (distance) P-C4' energy: -156.775
flat angles C4'-P-C4' energy: -150.543
flat angles P-C4'-P energy: -106.694
tors. eta vs tors. theta energy: -147.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1639.633131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.633131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.633131 (E_RNA)
where:
Base-Base interactions energy: -996.324
where: short stacking energy: -496.909
Base-Backbone interact. energy: 4.515
local terms energy: -647.824530
where:
bonds (distance) C4'-P energy: -151.490
bonds (distance) P-C4' energy: -155.549
flat angles C4'-P-C4' energy: -150.534
flat angles P-C4'-P energy: -109.754
tors. eta vs tors. theta energy: -80.498
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: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1472.800361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.800361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.800361 (E_RNA)
where:
Base-Base interactions energy: -880.731
where: short stacking energy: -438.846
Base-Backbone interact. energy: -2.120
local terms energy: -589.949851
where:
bonds (distance) C4'-P energy: -132.672
bonds (distance) P-C4' energy: -151.373
flat angles C4'-P-C4' energy: -131.728
flat angles P-C4'-P energy: -98.473
tors. eta vs tors. theta energy: -75.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1007.615715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.615715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.615715 (E_RNA)
where:
Base-Base interactions energy: -567.701
where: short stacking energy: -296.744
Base-Backbone interact. energy: 4.300
local terms energy: -444.214110
where:
bonds (distance) C4'-P energy: -127.056
bonds (distance) P-C4' energy: -140.650
flat angles C4'-P-C4' energy: -117.943
flat angles P-C4'-P energy: -76.168
tors. eta vs tors. theta energy: 17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -747.797918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.797918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.797918 (E_RNA)
where:
Base-Base interactions energy: -301.757
where: short stacking energy: -220.214
Base-Backbone interact. energy: 10.850
local terms energy: -456.890977
where:
bonds (distance) C4'-P energy: -142.676
bonds (distance) P-C4' energy: -152.030
flat angles C4'-P-C4' energy: -126.111
flat angles P-C4'-P energy: -74.856
tors. eta vs tors. theta energy: 38.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -3024.818401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.818401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.818401 (E_RNA)
where:
Base-Base interactions energy: -2080.658
where: short stacking energy: -893.024
Base-Backbone interact. energy: -0.350
local terms energy: -943.810572
where:
bonds (distance) C4'-P energy: -168.365
bonds (distance) P-C4' energy: -192.198
flat angles C4'-P-C4' energy: -204.293
flat angles P-C4'-P energy: -133.631
tors. eta vs tors. theta energy: -245.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2870.011912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.011912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.011912 (E_RNA)
where:
Base-Base interactions energy: -1966.833
where: short stacking energy: -797.194
Base-Backbone interact. energy: 7.688
local terms energy: -910.867659
where:
bonds (distance) C4'-P energy: -180.835
bonds (distance) P-C4' energy: -173.049
flat angles C4'-P-C4' energy: -200.662
flat angles P-C4'-P energy: -125.112
tors. eta vs tors. theta energy: -231.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2652.370294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.370294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.370294 (E_RNA)
where:
Base-Base interactions energy: -1794.969
where: short stacking energy: -771.711
Base-Backbone interact. energy: -3.413
local terms energy: -853.988160
where:
bonds (distance) C4'-P energy: -154.602
bonds (distance) P-C4' energy: -174.097
flat angles C4'-P-C4' energy: -185.228
flat angles P-C4'-P energy: -116.097
tors. eta vs tors. theta energy: -223.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2478.408180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.408180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.408180 (E_RNA)
where:
Base-Base interactions energy: -1628.152
where: short stacking energy: -693.803
Base-Backbone interact. energy: 2.816
local terms energy: -853.071739
where:
bonds (distance) C4'-P energy: -174.917
bonds (distance) P-C4' energy: -163.196
flat angles C4'-P-C4' energy: -194.813
flat angles P-C4'-P energy: -129.012
tors. eta vs tors. theta energy: -191.134
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: 101
Temperature: 1.100000
Total energy: -2146.218691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.218691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.218691 (E_RNA)
where:
Base-Base interactions energy: -1385.043
where: short stacking energy: -640.002
Base-Backbone interact. energy: 1.454
local terms energy: -762.629334
where:
bonds (distance) C4'-P energy: -171.193
bonds (distance) P-C4' energy: -175.562
flat angles C4'-P-C4' energy: -160.507
flat angles P-C4'-P energy: -96.623
tors. eta vs tors. theta energy: -158.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2030.761634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.761634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.761634 (E_RNA)
where:
Base-Base interactions energy: -1308.295
where: short stacking energy: -593.057
Base-Backbone interact. energy: -4.429
local terms energy: -718.037721
where:
bonds (distance) C4'-P energy: -157.388
bonds (distance) P-C4' energy: -140.773
flat angles C4'-P-C4' energy: -173.900
flat angles P-C4'-P energy: -97.767
tors. eta vs tors. theta energy: -148.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1641.890755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.890755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.890755 (E_RNA)
where:
Base-Base interactions energy: -970.264
where: short stacking energy: -462.909
Base-Backbone interact. energy: 2.148
local terms energy: -673.774040
where:
bonds (distance) C4'-P energy: -151.154
bonds (distance) P-C4' energy: -183.289
flat angles C4'-P-C4' energy: -147.879
flat angles P-C4'-P energy: -91.327
tors. eta vs tors. theta energy: -100.125
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: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1489.119985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.119985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.119985 (E_RNA)
where:
Base-Base interactions energy: -928.394
where: short stacking energy: -423.531
Base-Backbone interact. energy: 7.986
local terms energy: -568.711500
where:
bonds (distance) C4'-P energy: -138.379
bonds (distance) P-C4' energy: -145.501
flat angles C4'-P-C4' energy: -145.124
flat angles P-C4'-P energy: -90.061
tors. eta vs tors. theta energy: -49.647
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: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1058.002453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.002453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.002453 (E_RNA)
where:
Base-Base interactions energy: -564.685
where: short stacking energy: -289.345
Base-Backbone interact. energy: 9.547
local terms energy: -502.864128
where:
bonds (distance) C4'-P energy: -160.261
bonds (distance) P-C4' energy: -171.717
flat angles C4'-P-C4' energy: -119.183
flat angles P-C4'-P energy: -46.710
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -752.843995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.843995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.843995 (E_RNA)
where:
Base-Base interactions energy: -315.106
where: short stacking energy: -227.254
Base-Backbone interact. energy: 1.056
local terms energy: -438.793711
where:
bonds (distance) C4'-P energy: -140.993
bonds (distance) P-C4' energy: -123.215
flat angles C4'-P-C4' energy: -120.216
flat angles P-C4'-P energy: -74.362
tors. eta vs tors. theta energy: 19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2990.066055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.066055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.066055 (E_RNA)
where:
Base-Base interactions energy: -2019.641
where: short stacking energy: -834.493
Base-Backbone interact. energy: -1.942
local terms energy: -968.483462
where:
bonds (distance) C4'-P energy: -183.728
bonds (distance) P-C4' energy: -180.540
flat angles C4'-P-C4' energy: -216.481
flat angles P-C4'-P energy: -135.116
tors. eta vs tors. theta energy: -252.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2868.222827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.222827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.222827 (E_RNA)
where:
Base-Base interactions energy: -1973.275
where: short stacking energy: -789.764
Base-Backbone interact. energy: 3.030
local terms energy: -897.977640
where:
bonds (distance) C4'-P energy: -180.976
bonds (distance) P-C4' energy: -174.233
flat angles C4'-P-C4' energy: -197.051
flat angles P-C4'-P energy: -130.402
tors. eta vs tors. theta energy: -215.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2699.301139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.301139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.301139 (E_RNA)
where:
Base-Base interactions energy: -1785.330
where: short stacking energy: -777.443
Base-Backbone interact. energy: -2.498
local terms energy: -911.473403
where:
bonds (distance) C4'-P energy: -166.748
bonds (distance) P-C4' energy: -189.398
flat angles C4'-P-C4' energy: -197.862
flat angles P-C4'-P energy: -131.994
tors. eta vs tors. theta energy: -225.472
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: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2476.289517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.289517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.289517 (E_RNA)
where:
Base-Base interactions energy: -1632.053
where: short stacking energy: -716.612
Base-Backbone interact. energy: -5.252
local terms energy: -838.983846
where:
bonds (distance) C4'-P energy: -172.346
bonds (distance) P-C4' energy: -158.486
flat angles C4'-P-C4' energy: -196.265
flat angles P-C4'-P energy: -115.138
tors. eta vs tors. theta energy: -196.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2131.151932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.151932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.151932 (E_RNA)
where:
Base-Base interactions energy: -1367.909
where: short stacking energy: -593.651
Base-Backbone interact. energy: -3.542
local terms energy: -759.701021
where:
bonds (distance) C4'-P energy: -164.691
bonds (distance) P-C4' energy: -180.605
flat angles C4'-P-C4' energy: -159.622
flat angles P-C4'-P energy: -106.293
tors. eta vs tors. theta energy: -148.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2028.144930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.144930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.144930 (E_RNA)
where:
Base-Base interactions energy: -1322.286
where: short stacking energy: -614.904
Base-Backbone interact. energy: -3.261
local terms energy: -702.598352
where:
bonds (distance) C4'-P energy: -146.508
bonds (distance) P-C4' energy: -144.752
flat angles C4'-P-C4' energy: -163.591
flat angles P-C4'-P energy: -96.530
tors. eta vs tors. theta energy: -151.217
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: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1600.437996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.437996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.437996 (E_RNA)
where:
Base-Base interactions energy: -955.091
where: short stacking energy: -444.078
Base-Backbone interact. energy: -1.632
local terms energy: -643.714684
where:
bonds (distance) C4'-P energy: -152.608
bonds (distance) P-C4' energy: -162.449
flat angles C4'-P-C4' energy: -150.953
flat angles P-C4'-P energy: -97.846
tors. eta vs tors. theta energy: -79.859
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: 102
Temperature: 1.250000
Total energy: -1500.566004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.566004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.566004 (E_RNA)
where:
Base-Base interactions energy: -934.149
where: short stacking energy: -434.575
Base-Backbone interact. energy: -3.549
local terms energy: -562.868382
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -151.866
flat angles C4'-P-C4' energy: -144.690
flat angles P-C4'-P energy: -84.303
tors. eta vs tors. theta energy: -67.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1056.687444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.687444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.687444 (E_RNA)
where:
Base-Base interactions energy: -554.716
where: short stacking energy: -283.975
Base-Backbone interact. energy: 2.744
local terms energy: -504.715659
where:
bonds (distance) C4'-P energy: -138.680
bonds (distance) P-C4' energy: -159.900
flat angles C4'-P-C4' energy: -133.197
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -7.409
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: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -776.106195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.106195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.106195 (E_RNA)
where:
Base-Base interactions energy: -340.449
where: short stacking energy: -209.414
Base-Backbone interact. energy: -1.838
local terms energy: -433.818379
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -167.338
flat angles C4'-P-C4' energy: -122.014
flat angles P-C4'-P energy: -52.642
tors. eta vs tors. theta energy: 40.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2997.914133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2997.914133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.914133 (E_RNA)
where:
Base-Base interactions energy: -2049.982
where: short stacking energy: -853.219
Base-Backbone interact. energy: -1.838
local terms energy: -946.093884
where:
bonds (distance) C4'-P energy: -183.287
bonds (distance) P-C4' energy: -161.269
flat angles C4'-P-C4' energy: -219.432
flat angles P-C4'-P energy: -136.387
tors. eta vs tors. theta energy: -245.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2894.982721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.982721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.982721 (E_RNA)
where:
Base-Base interactions energy: -1981.870
where: short stacking energy: -830.335
Base-Backbone interact. energy: -2.139
local terms energy: -910.973759
where:
bonds (distance) C4'-P energy: -174.948
bonds (distance) P-C4' energy: -176.208
flat angles C4'-P-C4' energy: -190.253
flat angles P-C4'-P energy: -136.688
tors. eta vs tors. theta energy: -232.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2681.533115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.533115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.533115 (E_RNA)
where:
Base-Base interactions energy: -1788.891
where: short stacking energy: -726.202
Base-Backbone interact. energy: 2.691
local terms energy: -895.333212
where:
bonds (distance) C4'-P energy: -167.215
bonds (distance) P-C4' energy: -193.299
flat angles C4'-P-C4' energy: -202.142
flat angles P-C4'-P energy: -124.047
tors. eta vs tors. theta energy: -208.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2414.630347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.630347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.630347 (E_RNA)
where:
Base-Base interactions energy: -1581.136
where: short stacking energy: -724.115
Base-Backbone interact. energy: 3.056
local terms energy: -836.551232
where:
bonds (distance) C4'-P energy: -159.126
bonds (distance) P-C4' energy: -163.550
flat angles C4'-P-C4' energy: -194.422
flat angles P-C4'-P energy: -124.478
tors. eta vs tors. theta energy: -194.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2165.947112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.947112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.947112 (E_RNA)
where:
Base-Base interactions energy: -1409.809
where: short stacking energy: -638.766
Base-Backbone interact. energy: -1.608
local terms energy: -754.529954
where:
bonds (distance) C4'-P energy: -155.374
bonds (distance) P-C4' energy: -164.124
flat angles C4'-P-C4' energy: -176.313
flat angles P-C4'-P energy: -102.520
tors. eta vs tors. theta energy: -156.200
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: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2047.751544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.751544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.751544 (E_RNA)
where:
Base-Base interactions energy: -1315.239
where: short stacking energy: -606.463
Base-Backbone interact. energy: 0.541
local terms energy: -733.053225
where:
bonds (distance) C4'-P energy: -151.924
bonds (distance) P-C4' energy: -150.487
flat angles C4'-P-C4' energy: -180.001
flat angles P-C4'-P energy: -96.106
tors. eta vs tors. theta energy: -154.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1648.906632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.906632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.906632 (E_RNA)
where:
Base-Base interactions energy: -1023.011
where: short stacking energy: -484.561
Base-Backbone interact. energy: 0.395
local terms energy: -626.290898
where:
bonds (distance) C4'-P energy: -127.685
bonds (distance) P-C4' energy: -156.831
flat angles C4'-P-C4' energy: -168.373
flat angles P-C4'-P energy: -90.847
tors. eta vs tors. theta energy: -82.555
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1528.955524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.955524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.955524 (E_RNA)
where:
Base-Base interactions energy: -904.528
where: short stacking energy: -417.705
Base-Backbone interact. energy: 2.769
local terms energy: -627.196844
where:
bonds (distance) C4'-P energy: -161.372
bonds (distance) P-C4' energy: -159.548
flat angles C4'-P-C4' energy: -150.794
flat angles P-C4'-P energy: -90.219
tors. eta vs tors. theta energy: -65.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -990.119085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.119085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.119085 (E_RNA)
where:
Base-Base interactions energy: -489.650
where: short stacking energy: -260.835
Base-Backbone interact. energy: -1.220
local terms energy: -499.249501
where:
bonds (distance) C4'-P energy: -148.778
bonds (distance) P-C4' energy: -164.044
flat angles C4'-P-C4' energy: -133.887
flat angles P-C4'-P energy: -63.328
tors. eta vs tors. theta energy: 10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -776.857179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.857179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.857179 (E_RNA)
where:
Base-Base interactions energy: -309.205
where: short stacking energy: -210.593
Base-Backbone interact. energy: 1.325
local terms energy: -468.977692
where:
bonds (distance) C4'-P energy: -149.460
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -147.173
flat angles P-C4'-P energy: -62.396
tors. eta vs tors. theta energy: 33.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2990.914227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.914227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.914227 (E_RNA)
where:
Base-Base interactions energy: -2024.617
where: short stacking energy: -872.530
Base-Backbone interact. energy: -2.610
local terms energy: -963.686742
where:
bonds (distance) C4'-P energy: -163.858
bonds (distance) P-C4' energy: -194.250
flat angles C4'-P-C4' energy: -218.865
flat angles P-C4'-P energy: -137.833
tors. eta vs tors. theta energy: -248.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2847.191755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.191755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.191755 (E_RNA)
where:
Base-Base interactions energy: -1958.970
where: short stacking energy: -791.736
Base-Backbone interact. energy: -2.069
local terms energy: -886.152973
where:
bonds (distance) C4'-P energy: -161.602
bonds (distance) P-C4' energy: -169.538
flat angles C4'-P-C4' energy: -186.456
flat angles P-C4'-P energy: -134.283
tors. eta vs tors. theta energy: -234.274
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: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2708.585187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.585187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.585187 (E_RNA)
where:
Base-Base interactions energy: -1825.033
where: short stacking energy: -782.401
Base-Backbone interact. energy: -1.342
local terms energy: -882.209951
where:
bonds (distance) C4'-P energy: -177.695
bonds (distance) P-C4' energy: -160.183
flat angles C4'-P-C4' energy: -195.039
flat angles P-C4'-P energy: -126.661
tors. eta vs tors. theta energy: -222.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2410.115096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.115096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.115096 (E_RNA)
where:
Base-Base interactions energy: -1568.357
where: short stacking energy: -699.193
Base-Backbone interact. energy: 2.995
local terms energy: -844.752917
where:
bonds (distance) C4'-P energy: -165.912
bonds (distance) P-C4' energy: -180.799
flat angles C4'-P-C4' energy: -172.588
flat angles P-C4'-P energy: -131.927
tors. eta vs tors. theta energy: -193.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2158.612348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.612348 (E_RNA)
where:
Base-Base interactions energy: -1425.125
where: short stacking energy: -592.446
Base-Backbone interact. energy: -3.685
local terms energy: -729.802951
where:
bonds (distance) C4'-P energy: -155.406
bonds (distance) P-C4' energy: -165.515
flat angles C4'-P-C4' energy: -166.153
flat angles P-C4'-P energy: -109.984
tors. eta vs tors. theta energy: -132.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2095.667581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.667581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.667581 (E_RNA)
where:
Base-Base interactions energy: -1355.012
where: short stacking energy: -618.493
Base-Backbone interact. energy: -4.775
local terms energy: -735.880542
where:
bonds (distance) C4'-P energy: -120.875
bonds (distance) P-C4' energy: -159.682
flat angles C4'-P-C4' energy: -191.783
flat angles P-C4'-P energy: -99.337
tors. eta vs tors. theta energy: -164.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1611.822909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.822909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.822909 (E_RNA)
where:
Base-Base interactions energy: -990.744
where: short stacking energy: -492.403
Base-Backbone interact. energy: -2.392
local terms energy: -618.687010
where:
bonds (distance) C4'-P energy: -126.182
bonds (distance) P-C4' energy: -155.990
flat angles C4'-P-C4' energy: -164.979
flat angles P-C4'-P energy: -90.341
tors. eta vs tors. theta energy: -81.195
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1569.711493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.711493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.711493 (E_RNA)
where:
Base-Base interactions energy: -969.476
where: short stacking energy: -457.316
Base-Backbone interact. energy: 0.677
local terms energy: -600.912579
where:
bonds (distance) C4'-P energy: -125.516
bonds (distance) P-C4' energy: -160.447
flat angles C4'-P-C4' energy: -157.787
flat angles P-C4'-P energy: -84.369
tors. eta vs tors. theta energy: -72.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -991.160638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.160638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.160638 (E_RNA)
where:
Base-Base interactions energy: -468.493
where: short stacking energy: -269.349
Base-Backbone interact. energy: -5.181
local terms energy: -517.487081
where:
bonds (distance) C4'-P energy: -142.417
bonds (distance) P-C4' energy: -157.092
flat angles C4'-P-C4' energy: -144.328
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: 7.309
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: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -815.719898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.719898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.719898 (E_RNA)
where:
Base-Base interactions energy: -355.464
where: short stacking energy: -236.478
Base-Backbone interact. energy: 2.942
local terms energy: -463.198028
where:
bonds (distance) C4'-P energy: -149.309
bonds (distance) P-C4' energy: -136.202
flat angles C4'-P-C4' energy: -106.479
flat angles P-C4'-P energy: -80.944
tors. eta vs tors. theta energy: 9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -3028.230306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.230306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.230306 (E_RNA)
where:
Base-Base interactions energy: -2069.035
where: short stacking energy: -856.723
Base-Backbone interact. energy: -6.927
local terms energy: -952.268143
where:
bonds (distance) C4'-P energy: -186.880
bonds (distance) P-C4' energy: -178.589
flat angles C4'-P-C4' energy: -200.000
flat angles P-C4'-P energy: -122.901
tors. eta vs tors. theta energy: -263.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2855.450324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.450324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.450324 (E_RNA)
where:
Base-Base interactions energy: -1926.514
where: short stacking energy: -834.290
Base-Backbone interact. energy: -4.495
local terms energy: -924.441740
where:
bonds (distance) C4'-P energy: -185.840
bonds (distance) P-C4' energy: -168.525
flat angles C4'-P-C4' energy: -203.470
flat angles P-C4'-P energy: -128.060
tors. eta vs tors. theta energy: -238.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2670.162743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.162743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.162743 (E_RNA)
where:
Base-Base interactions energy: -1796.350
where: short stacking energy: -761.304
Base-Backbone interact. energy: 1.924
local terms energy: -875.737098
where:
bonds (distance) C4'-P energy: -155.916
bonds (distance) P-C4' energy: -174.264
flat angles C4'-P-C4' energy: -187.718
flat angles P-C4'-P energy: -137.389
tors. eta vs tors. theta energy: -220.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2439.196588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.196588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.196588 (E_RNA)
where:
Base-Base interactions energy: -1638.318
where: short stacking energy: -727.022
Base-Backbone interact. energy: 1.593
local terms energy: -802.471169
where:
bonds (distance) C4'-P energy: -139.623
bonds (distance) P-C4' energy: -176.001
flat angles C4'-P-C4' energy: -183.522
flat angles P-C4'-P energy: -101.594
tors. eta vs tors. theta energy: -201.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2089.756097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.756097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.756097 (E_RNA)
where:
Base-Base interactions energy: -1420.886
where: short stacking energy: -600.806
Base-Backbone interact. energy: -1.999
local terms energy: -666.870820
where:
bonds (distance) C4'-P energy: -123.315
bonds (distance) P-C4' energy: -160.466
flat angles C4'-P-C4' energy: -152.729
flat angles P-C4'-P energy: -99.624
tors. eta vs tors. theta energy: -130.737
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: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2097.269513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.269513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.269513 (E_RNA)
where:
Base-Base interactions energy: -1377.699
where: short stacking energy: -637.372
Base-Backbone interact. energy: -1.270
local terms energy: -718.300887
where:
bonds (distance) C4'-P energy: -149.311
bonds (distance) P-C4' energy: -148.961
flat angles C4'-P-C4' energy: -155.362
flat angles P-C4'-P energy: -97.508
tors. eta vs tors. theta energy: -167.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1545.775278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.775278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.775278 (E_RNA)
where:
Base-Base interactions energy: -953.269
where: short stacking energy: -433.084
Base-Backbone interact. energy: -0.941
local terms energy: -591.565373
where:
bonds (distance) C4'-P energy: -132.108
bonds (distance) P-C4' energy: -155.453
flat angles C4'-P-C4' energy: -147.291
flat angles P-C4'-P energy: -81.436
tors. eta vs tors. theta energy: -75.278
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: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1521.734872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.734872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.734872 (E_RNA)
where:
Base-Base interactions energy: -891.145
where: short stacking energy: -411.185
Base-Backbone interact. energy: -3.093
local terms energy: -627.497403
where:
bonds (distance) C4'-P energy: -168.731
bonds (distance) P-C4' energy: -164.123
flat angles C4'-P-C4' energy: -162.043
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -54.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1049.452220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.452220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.452220 (E_RNA)
where:
Base-Base interactions energy: -545.360
where: short stacking energy: -275.828
Base-Backbone interact. energy: -0.007
local terms energy: -504.085315
where:
bonds (distance) C4'-P energy: -118.479
bonds (distance) P-C4' energy: -147.094
flat angles C4'-P-C4' energy: -129.704
flat angles P-C4'-P energy: -107.804
tors. eta vs tors. theta energy: -1.003
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: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -789.252708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.252708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.252708 (E_RNA)
where:
Base-Base interactions energy: -327.048
where: short stacking energy: -225.155
Base-Backbone interact. energy: 2.125
local terms energy: -464.329975
where:
bonds (distance) C4'-P energy: -126.633
bonds (distance) P-C4' energy: -143.551
flat angles C4'-P-C4' energy: -163.156
flat angles P-C4'-P energy: -59.466
tors. eta vs tors. theta energy: 28.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2984.151052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.151052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.151052 (E_RNA)
where:
Base-Base interactions energy: -2061.292
where: short stacking energy: -877.455
Base-Backbone interact. energy: -1.486
local terms energy: -921.373830
where:
bonds (distance) C4'-P energy: -168.615
bonds (distance) P-C4' energy: -175.180
flat angles C4'-P-C4' energy: -194.642
flat angles P-C4'-P energy: -131.936
tors. eta vs tors. theta energy: -251.000
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: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2853.954216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.954216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.954216 (E_RNA)
where:
Base-Base interactions energy: -1944.965
where: short stacking energy: -811.000
Base-Backbone interact. energy: 0.663
local terms energy: -909.652425
where:
bonds (distance) C4'-P energy: -175.056
bonds (distance) P-C4' energy: -178.212
flat angles C4'-P-C4' energy: -198.862
flat angles P-C4'-P energy: -127.816
tors. eta vs tors. theta energy: -229.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2705.327862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.327862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.327862 (E_RNA)
where:
Base-Base interactions energy: -1812.961
where: short stacking energy: -804.810
Base-Backbone interact. energy: 0.904
local terms energy: -893.271089
where:
bonds (distance) C4'-P energy: -155.602
bonds (distance) P-C4' energy: -177.188
flat angles C4'-P-C4' energy: -208.941
flat angles P-C4'-P energy: -121.118
tors. eta vs tors. theta energy: -230.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2427.134853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.134853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.134853 (E_RNA)
where:
Base-Base interactions energy: -1588.521
where: short stacking energy: -690.763
Base-Backbone interact. energy: -4.184
local terms energy: -834.430057
where:
bonds (distance) C4'-P energy: -170.639
bonds (distance) P-C4' energy: -173.489
flat angles C4'-P-C4' energy: -187.989
flat angles P-C4'-P energy: -99.466
tors. eta vs tors. theta energy: -202.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2216.578880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.578880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.578880 (E_RNA)
where:
Base-Base interactions energy: -1436.306
where: short stacking energy: -654.841
Base-Backbone interact. energy: -3.040
local terms energy: -777.233453
where:
bonds (distance) C4'-P energy: -157.902
bonds (distance) P-C4' energy: -162.750
flat angles C4'-P-C4' energy: -184.725
flat angles P-C4'-P energy: -107.458
tors. eta vs tors. theta energy: -164.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1960.605191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.605191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.605191 (E_RNA)
where:
Base-Base interactions energy: -1258.401
where: short stacking energy: -553.087
Base-Backbone interact. energy: -4.268
local terms energy: -697.936631
where:
bonds (distance) C4'-P energy: -163.633
bonds (distance) P-C4' energy: -146.029
flat angles C4'-P-C4' energy: -173.153
flat angles P-C4'-P energy: -92.070
tors. eta vs tors. theta energy: -123.051
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: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1536.227200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.227200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.227200 (E_RNA)
where:
Base-Base interactions energy: -925.075
where: short stacking energy: -442.846
Base-Backbone interact. energy: -0.918
local terms energy: -610.234060
where:
bonds (distance) C4'-P energy: -150.810
bonds (distance) P-C4' energy: -149.810
flat angles C4'-P-C4' energy: -165.907
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -66.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1397.482587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.482587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.482587 (E_RNA)
where:
Base-Base interactions energy: -789.255
where: short stacking energy: -377.569
Base-Backbone interact. energy: 0.816
local terms energy: -609.043535
where:
bonds (distance) C4'-P energy: -156.042
bonds (distance) P-C4' energy: -160.252
flat angles C4'-P-C4' energy: -153.168
flat angles P-C4'-P energy: -89.757
tors. eta vs tors. theta energy: -49.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1118.688213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.688213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.688213 (E_RNA)
where:
Base-Base interactions energy: -643.842
where: short stacking energy: -339.369
Base-Backbone interact. energy: -0.582
local terms energy: -474.264856
where:
bonds (distance) C4'-P energy: -115.545
bonds (distance) P-C4' energy: -144.854
flat angles C4'-P-C4' energy: -124.622
flat angles P-C4'-P energy: -68.314
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -758.234843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.234843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.234843 (E_RNA)
where:
Base-Base interactions energy: -286.020
where: short stacking energy: -213.300
Base-Backbone interact. energy: -1.096
local terms energy: -471.118517
where:
bonds (distance) C4'-P energy: -143.480
bonds (distance) P-C4' energy: -161.913
flat angles C4'-P-C4' energy: -113.644
flat angles P-C4'-P energy: -76.611
tors. eta vs tors. theta energy: 24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -3023.710451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3023.710451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3023.710451 (E_RNA)
where:
Base-Base interactions energy: -2045.459
where: short stacking energy: -882.031
Base-Backbone interact. energy: -5.690
local terms energy: -972.561432
where:
bonds (distance) C4'-P energy: -182.695
bonds (distance) P-C4' energy: -182.680
flat angles C4'-P-C4' energy: -212.382
flat angles P-C4'-P energy: -132.356
tors. eta vs tors. theta energy: -262.448
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2830.000432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.000432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.000432 (E_RNA)
where:
Base-Base interactions energy: -1923.618
where: short stacking energy: -778.177
Base-Backbone interact. energy: -2.413
local terms energy: -903.969921
where:
bonds (distance) C4'-P energy: -175.813
bonds (distance) P-C4' energy: -186.661
flat angles C4'-P-C4' energy: -194.171
flat angles P-C4'-P energy: -125.579
tors. eta vs tors. theta energy: -221.746
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: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2705.355081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.355081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.355081 (E_RNA)
where:
Base-Base interactions energy: -1828.762
where: short stacking energy: -775.383
Base-Backbone interact. energy: -0.044
local terms energy: -876.548808
where:
bonds (distance) C4'-P energy: -166.158
bonds (distance) P-C4' energy: -173.216
flat angles C4'-P-C4' energy: -185.730
flat angles P-C4'-P energy: -120.108
tors. eta vs tors. theta energy: -231.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2452.936715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.936715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.936715 (E_RNA)
where:
Base-Base interactions energy: -1602.656
where: short stacking energy: -759.320
Base-Backbone interact. energy: -0.461
local terms energy: -849.820262
where:
bonds (distance) C4'-P energy: -157.375
bonds (distance) P-C4' energy: -174.159
flat angles C4'-P-C4' energy: -188.623
flat angles P-C4'-P energy: -101.088
tors. eta vs tors. theta energy: -228.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2227.081725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.081725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.081725 (E_RNA)
where:
Base-Base interactions energy: -1426.147
where: short stacking energy: -642.858
Base-Backbone interact. energy: -4.501
local terms energy: -796.434639
where:
bonds (distance) C4'-P energy: -154.762
bonds (distance) P-C4' energy: -177.663
flat angles C4'-P-C4' energy: -179.853
flat angles P-C4'-P energy: -105.715
tors. eta vs tors. theta energy: -178.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1870.914328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.914328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.914328 (E_RNA)
where:
Base-Base interactions energy: -1212.029
where: short stacking energy: -551.588
Base-Backbone interact. energy: 2.724
local terms energy: -661.609029
where:
bonds (distance) C4'-P energy: -166.963
bonds (distance) P-C4' energy: -140.391
flat angles C4'-P-C4' energy: -142.535
flat angles P-C4'-P energy: -108.517
tors. eta vs tors. theta energy: -103.203
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: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1628.816698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.816698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.816698 (E_RNA)
where:
Base-Base interactions energy: -968.216
where: short stacking energy: -476.072
Base-Backbone interact. energy: -0.992
local terms energy: -659.608451
where:
bonds (distance) C4'-P energy: -123.284
bonds (distance) P-C4' energy: -174.804
flat angles C4'-P-C4' energy: -155.916
flat angles P-C4'-P energy: -95.717
tors. eta vs tors. theta energy: -109.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1343.432274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.432274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.432274 (E_RNA)
where:
Base-Base interactions energy: -735.688
where: short stacking energy: -384.977
Base-Backbone interact. energy: -0.653
local terms energy: -607.092171
where:
bonds (distance) C4'-P energy: -161.962
bonds (distance) P-C4' energy: -167.720
flat angles C4'-P-C4' energy: -149.045
flat angles P-C4'-P energy: -95.403
tors. eta vs tors. theta energy: -32.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1079.550974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.550974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.550974 (E_RNA)
where:
Base-Base interactions energy: -575.260
where: short stacking energy: -265.826
Base-Backbone interact. energy: 4.337
local terms energy: -508.628359
where:
bonds (distance) C4'-P energy: -130.948
bonds (distance) P-C4' energy: -170.839
flat angles C4'-P-C4' energy: -125.712
flat angles P-C4'-P energy: -93.765
tors. eta vs tors. theta energy: 12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -782.795012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.795012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.795012 (E_RNA)
where:
Base-Base interactions energy: -321.412
where: short stacking energy: -208.906
Base-Backbone interact. energy: 1.760
local terms energy: -463.143304
where:
bonds (distance) C4'-P energy: -128.154
bonds (distance) P-C4' energy: -145.873
flat angles C4'-P-C4' energy: -127.743
flat angles P-C4'-P energy: -82.792
tors. eta vs tors. theta energy: 21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -3033.321168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.321168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.321168 (E_RNA)
where:
Base-Base interactions energy: -2061.397
where: short stacking energy: -884.733
Base-Backbone interact. energy: -5.661
local terms energy: -966.262814
where:
bonds (distance) C4'-P energy: -179.052
bonds (distance) P-C4' energy: -171.666
flat angles C4'-P-C4' energy: -215.675
flat angles P-C4'-P energy: -133.029
tors. eta vs tors. theta energy: -266.840
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: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2852.150029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.150029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.150029 (E_RNA)
where:
Base-Base interactions energy: -1965.990
where: short stacking energy: -802.621
Base-Backbone interact. energy: -0.196
local terms energy: -885.963571
where:
bonds (distance) C4'-P energy: -176.506
bonds (distance) P-C4' energy: -181.751
flat angles C4'-P-C4' energy: -193.687
flat angles P-C4'-P energy: -117.570
tors. eta vs tors. theta energy: -216.450
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: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2718.550479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.550479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.550479 (E_RNA)
where:
Base-Base interactions energy: -1841.432
where: short stacking energy: -788.909
Base-Backbone interact. energy: -4.067
local terms energy: -873.052131
where:
bonds (distance) C4'-P energy: -169.114
bonds (distance) P-C4' energy: -166.296
flat angles C4'-P-C4' energy: -191.725
flat angles P-C4'-P energy: -124.612
tors. eta vs tors. theta energy: -221.305
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2454.093758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.093758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.093758 (E_RNA)
where:
Base-Base interactions energy: -1632.416
where: short stacking energy: -742.779
Base-Backbone interact. energy: -1.723
local terms energy: -819.955306
where:
bonds (distance) C4'-P energy: -143.135
bonds (distance) P-C4' energy: -152.942
flat angles C4'-P-C4' energy: -188.643
flat angles P-C4'-P energy: -120.533
tors. eta vs tors. theta energy: -214.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2190.814790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.814790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.814790 (E_RNA)
where:
Base-Base interactions energy: -1429.021
where: short stacking energy: -617.279
Base-Backbone interact. energy: -5.330
local terms energy: -756.463865
where:
bonds (distance) C4'-P energy: -163.280
bonds (distance) P-C4' energy: -180.261
flat angles C4'-P-C4' energy: -169.025
flat angles P-C4'-P energy: -103.973
tors. eta vs tors. theta energy: -139.925
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: 108
Temperature: 1.150000
Total energy: -1880.226499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.226499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.226499 (E_RNA)
where:
Base-Base interactions energy: -1166.801
where: short stacking energy: -523.332
Base-Backbone interact. energy: 2.127
local terms energy: -715.553319
where:
bonds (distance) C4'-P energy: -158.230
bonds (distance) P-C4' energy: -157.901
flat angles C4'-P-C4' energy: -171.096
flat angles P-C4'-P energy: -111.680
tors. eta vs tors. theta energy: -116.646
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: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1598.030006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.030006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.030006 (E_RNA)
where:
Base-Base interactions energy: -973.666
where: short stacking energy: -445.394
Base-Backbone interact. energy: -1.406
local terms energy: -622.958456
where:
bonds (distance) C4'-P energy: -153.417
bonds (distance) P-C4' energy: -155.668
flat angles C4'-P-C4' energy: -144.130
flat angles P-C4'-P energy: -92.923
tors. eta vs tors. theta energy: -76.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1366.715538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.715538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.715538 (E_RNA)
where:
Base-Base interactions energy: -810.145
where: short stacking energy: -386.419
Base-Backbone interact. energy: -0.954
local terms energy: -555.616687
where:
bonds (distance) C4'-P energy: -138.579
bonds (distance) P-C4' energy: -152.476
flat angles C4'-P-C4' energy: -146.371
flat angles P-C4'-P energy: -74.212
tors. eta vs tors. theta energy: -43.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1166.775156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.775156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.775156 (E_RNA)
where:
Base-Base interactions energy: -646.254
where: short stacking energy: -339.086
Base-Backbone interact. energy: 0.626
local terms energy: -521.147018
where:
bonds (distance) C4'-P energy: -147.180
bonds (distance) P-C4' energy: -152.314
flat angles C4'-P-C4' energy: -116.263
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -39.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -771.158559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.158559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.158559 (E_RNA)
where:
Base-Base interactions energy: -323.290
where: short stacking energy: -244.817
Base-Backbone interact. energy: -2.136
local terms energy: -445.732553
where:
bonds (distance) C4'-P energy: -136.927
bonds (distance) P-C4' energy: -164.370
flat angles C4'-P-C4' energy: -104.498
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: 17.205
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: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -3036.833131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.833131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.833131 (E_RNA)
where:
Base-Base interactions energy: -2043.628
where: short stacking energy: -866.053
Base-Backbone interact. energy: -1.018
local terms energy: -992.186544
where:
bonds (distance) C4'-P energy: -196.329
bonds (distance) P-C4' energy: -187.992
flat angles C4'-P-C4' energy: -211.753
flat angles P-C4'-P energy: -132.063
tors. eta vs tors. theta energy: -264.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2842.886490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.886490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.886490 (E_RNA)
where:
Base-Base interactions energy: -1955.513
where: short stacking energy: -787.157
Base-Backbone interact. energy: -1.449
local terms energy: -885.924855
where:
bonds (distance) C4'-P energy: -189.173
bonds (distance) P-C4' energy: -171.346
flat angles C4'-P-C4' energy: -188.500
flat angles P-C4'-P energy: -116.970
tors. eta vs tors. theta energy: -219.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2745.795162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.795162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.795162 (E_RNA)
where:
Base-Base interactions energy: -1818.300
where: short stacking energy: -782.622
Base-Backbone interact. energy: -3.064
local terms energy: -924.431467
where:
bonds (distance) C4'-P energy: -180.576
bonds (distance) P-C4' energy: -189.763
flat angles C4'-P-C4' energy: -194.080
flat angles P-C4'-P energy: -117.204
tors. eta vs tors. theta energy: -242.808
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: 109
Temperature: 1.050000
Total energy: -2485.718449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.718449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.718449 (E_RNA)
where:
Base-Base interactions energy: -1632.022
where: short stacking energy: -746.989
Base-Backbone interact. energy: -1.280
local terms energy: -852.416524
where:
bonds (distance) C4'-P energy: -168.112
bonds (distance) P-C4' energy: -155.861
flat angles C4'-P-C4' energy: -183.382
flat angles P-C4'-P energy: -124.500
tors. eta vs tors. theta energy: -220.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2143.011855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.011855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.011855 (E_RNA)
where:
Base-Base interactions energy: -1357.020
where: short stacking energy: -654.951
Base-Backbone interact. energy: 1.417
local terms energy: -787.408140
where:
bonds (distance) C4'-P energy: -158.243
bonds (distance) P-C4' energy: -158.356
flat angles C4'-P-C4' energy: -182.714
flat angles P-C4'-P energy: -119.804
tors. eta vs tors. theta energy: -168.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2023.311843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.311843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.311843 (E_RNA)
where:
Base-Base interactions energy: -1293.285
where: short stacking energy: -557.208
Base-Backbone interact. energy: -3.075
local terms energy: -726.952487
where:
bonds (distance) C4'-P energy: -158.920
bonds (distance) P-C4' energy: -163.475
flat angles C4'-P-C4' energy: -168.498
flat angles P-C4'-P energy: -109.776
tors. eta vs tors. theta energy: -126.284
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: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1630.142129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.142129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.142129 (E_RNA)
where:
Base-Base interactions energy: -991.497
where: short stacking energy: -484.441
Base-Backbone interact. energy: 2.351
local terms energy: -640.996257
where:
bonds (distance) C4'-P energy: -161.125
bonds (distance) P-C4' energy: -161.058
flat angles C4'-P-C4' energy: -160.389
flat angles P-C4'-P energy: -75.114
tors. eta vs tors. theta energy: -83.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1312.099057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.099057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.099057 (E_RNA)
where:
Base-Base interactions energy: -743.736
where: short stacking energy: -387.505
Base-Backbone interact. energy: 1.928
local terms energy: -570.290397
where:
bonds (distance) C4'-P energy: -151.172
bonds (distance) P-C4' energy: -178.673
flat angles C4'-P-C4' energy: -125.406
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -48.451
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1315.349176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.349176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.349176 (E_RNA)
where:
Base-Base interactions energy: -729.724
where: short stacking energy: -361.318
Base-Backbone interact. energy: -2.172
local terms energy: -583.453990
where:
bonds (distance) C4'-P energy: -131.789
bonds (distance) P-C4' energy: -172.116
flat angles C4'-P-C4' energy: -156.383
flat angles P-C4'-P energy: -79.881
tors. eta vs tors. theta energy: -43.285
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: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -772.810271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.810271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.810271 (E_RNA)
where:
Base-Base interactions energy: -309.752
where: short stacking energy: -201.793
Base-Backbone interact. energy: 5.594
local terms energy: -468.652800
where:
bonds (distance) C4'-P energy: -145.530
bonds (distance) P-C4' energy: -144.194
flat angles C4'-P-C4' energy: -137.795
flat angles P-C4'-P energy: -80.770
tors. eta vs tors. theta energy: 39.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2984.779477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.779477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.779477 (E_RNA)
where:
Base-Base interactions energy: -2077.253
where: short stacking energy: -873.144
Base-Backbone interact. energy: -4.256
local terms energy: -903.270680
where:
bonds (distance) C4'-P energy: -134.735
bonds (distance) P-C4' energy: -174.342
flat angles C4'-P-C4' energy: -205.625
flat angles P-C4'-P energy: -135.192
tors. eta vs tors. theta energy: -253.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2810.681839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.681839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.681839 (E_RNA)
where:
Base-Base interactions energy: -1933.735
where: short stacking energy: -783.136
Base-Backbone interact. energy: 7.004
local terms energy: -883.950973
where:
bonds (distance) C4'-P energy: -178.932
bonds (distance) P-C4' energy: -166.577
flat angles C4'-P-C4' energy: -186.432
flat angles P-C4'-P energy: -122.672
tors. eta vs tors. theta energy: -229.337
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: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2770.811635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.811635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.811635 (E_RNA)
where:
Base-Base interactions energy: -1886.230
where: short stacking energy: -819.647
Base-Backbone interact. energy: -1.190
local terms energy: -883.391831
where:
bonds (distance) C4'-P energy: -165.188
bonds (distance) P-C4' energy: -165.473
flat angles C4'-P-C4' energy: -187.307
flat angles P-C4'-P energy: -126.306
tors. eta vs tors. theta energy: -239.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2476.915544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.915544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.915544 (E_RNA)
where:
Base-Base interactions energy: -1633.823
where: short stacking energy: -713.781
Base-Backbone interact. energy: -0.903
local terms energy: -842.189406
where:
bonds (distance) C4'-P energy: -142.304
bonds (distance) P-C4' energy: -170.516
flat angles C4'-P-C4' energy: -191.006
flat angles P-C4'-P energy: -123.674
tors. eta vs tors. theta energy: -214.690
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: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2153.532498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.532498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.532498 (E_RNA)
where:
Base-Base interactions energy: -1407.136
where: short stacking energy: -629.850
Base-Backbone interact. energy: -3.633
local terms energy: -742.763505
where:
bonds (distance) C4'-P energy: -148.703
bonds (distance) P-C4' energy: -152.984
flat angles C4'-P-C4' energy: -181.540
flat angles P-C4'-P energy: -111.736
tors. eta vs tors. theta energy: -147.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2051.708345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.708345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.708345 (E_RNA)
where:
Base-Base interactions energy: -1358.843
where: short stacking energy: -577.524
Base-Backbone interact. energy: 0.762
local terms energy: -693.627936
where:
bonds (distance) C4'-P energy: -159.697
bonds (distance) P-C4' energy: -158.391
flat angles C4'-P-C4' energy: -146.495
flat angles P-C4'-P energy: -103.634
tors. eta vs tors. theta energy: -125.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1681.058133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.058133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.058133 (E_RNA)
where:
Base-Base interactions energy: -1008.379
where: short stacking energy: -498.610
Base-Backbone interact. energy: -1.844
local terms energy: -670.835321
where:
bonds (distance) C4'-P energy: -144.775
bonds (distance) P-C4' energy: -142.609
flat angles C4'-P-C4' energy: -176.666
flat angles P-C4'-P energy: -96.972
tors. eta vs tors. theta energy: -109.814
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1394.605864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.605864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.605864 (E_RNA)
where:
Base-Base interactions energy: -806.813
where: short stacking energy: -394.318
Base-Backbone interact. energy: -0.236
local terms energy: -587.557439
where:
bonds (distance) C4'-P energy: -150.715
bonds (distance) P-C4' energy: -161.673
flat angles C4'-P-C4' energy: -151.545
flat angles P-C4'-P energy: -86.196
tors. eta vs tors. theta energy: -37.429
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: 110
Temperature: 1.300000
Total energy: -1331.609620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.609620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.609620 (E_RNA)
where:
Base-Base interactions energy: -775.279
where: short stacking energy: -351.544
Base-Backbone interact. energy: -0.228
local terms energy: -556.102602
where:
bonds (distance) C4'-P energy: -144.398
bonds (distance) P-C4' energy: -139.662
flat angles C4'-P-C4' energy: -150.846
flat angles P-C4'-P energy: -87.030
tors. eta vs tors. theta energy: -34.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -821.771985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.771985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.771985 (E_RNA)
where:
Base-Base interactions energy: -355.122
where: short stacking energy: -214.451
Base-Backbone interact. energy: 2.569
local terms energy: -469.218581
where:
bonds (distance) C4'-P energy: -144.621
bonds (distance) P-C4' energy: -152.908
flat angles C4'-P-C4' energy: -116.347
flat angles P-C4'-P energy: -65.469
tors. eta vs tors. theta energy: 10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -3013.727462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.727462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.727462 (E_RNA)
where:
Base-Base interactions energy: -2036.165
where: short stacking energy: -859.034
Base-Backbone interact. energy: -6.183
local terms energy: -971.379245
where:
bonds (distance) C4'-P energy: -169.657
bonds (distance) P-C4' energy: -187.082
flat angles C4'-P-C4' energy: -213.558
flat angles P-C4'-P energy: -141.830
tors. eta vs tors. theta energy: -259.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2770.319069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.319069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.319069 (E_RNA)
where:
Base-Base interactions energy: -1893.704
where: short stacking energy: -777.294
Base-Backbone interact. energy: -4.765
local terms energy: -871.849927
where:
bonds (distance) C4'-P energy: -164.312
bonds (distance) P-C4' energy: -170.461
flat angles C4'-P-C4' energy: -190.553
flat angles P-C4'-P energy: -128.711
tors. eta vs tors. theta energy: -217.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2752.734539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.734539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.734539 (E_RNA)
where:
Base-Base interactions energy: -1871.108
where: short stacking energy: -792.298
Base-Backbone interact. energy: -3.991
local terms energy: -877.635696
where:
bonds (distance) C4'-P energy: -163.944
bonds (distance) P-C4' energy: -186.001
flat angles C4'-P-C4' energy: -173.695
flat angles P-C4'-P energy: -129.464
tors. eta vs tors. theta energy: -224.532
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2476.096501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.096501 (E_RNA)
where:
Base-Base interactions energy: -1639.616
where: short stacking energy: -728.051
Base-Backbone interact. energy: -3.526
local terms energy: -832.954007
where:
bonds (distance) C4'-P energy: -179.445
bonds (distance) P-C4' energy: -155.532
flat angles C4'-P-C4' energy: -181.944
flat angles P-C4'-P energy: -104.936
tors. eta vs tors. theta energy: -211.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2231.204370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.204370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.204370 (E_RNA)
where:
Base-Base interactions energy: -1419.188
where: short stacking energy: -670.169
Base-Backbone interact. energy: -3.558
local terms energy: -808.458535
where:
bonds (distance) C4'-P energy: -165.409
bonds (distance) P-C4' energy: -166.990
flat angles C4'-P-C4' energy: -184.138
flat angles P-C4'-P energy: -132.423
tors. eta vs tors. theta energy: -159.498
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: 111
Temperature: 1.150000
Total energy: -2044.644254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.644254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.644254 (E_RNA)
where:
Base-Base interactions energy: -1340.515
where: short stacking energy: -560.452
Base-Backbone interact. energy: -2.586
local terms energy: -701.543669
where:
bonds (distance) C4'-P energy: -151.309
bonds (distance) P-C4' energy: -161.142
flat angles C4'-P-C4' energy: -174.049
flat angles P-C4'-P energy: -82.421
tors. eta vs tors. theta energy: -132.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1677.422521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.422521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.422521 (E_RNA)
where:
Base-Base interactions energy: -1034.587
where: short stacking energy: -509.940
Base-Backbone interact. energy: 0.253
local terms energy: -643.088461
where:
bonds (distance) C4'-P energy: -151.456
bonds (distance) P-C4' energy: -151.581
flat angles C4'-P-C4' energy: -136.806
flat angles P-C4'-P energy: -90.726
tors. eta vs tors. theta energy: -112.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1399.649362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.649362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.649362 (E_RNA)
where:
Base-Base interactions energy: -815.211
where: short stacking energy: -363.605
Base-Backbone interact. energy: -0.352
local terms energy: -584.086415
where:
bonds (distance) C4'-P energy: -149.396
bonds (distance) P-C4' energy: -148.607
flat angles C4'-P-C4' energy: -138.074
flat angles P-C4'-P energy: -114.943
tors. eta vs tors. theta energy: -33.066
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1214.105267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.105267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.105267 (E_RNA)
where:
Base-Base interactions energy: -676.041
where: short stacking energy: -311.235
Base-Backbone interact. energy: 1.386
local terms energy: -539.450423
where:
bonds (distance) C4'-P energy: -153.508
bonds (distance) P-C4' energy: -173.019
flat angles C4'-P-C4' energy: -117.097
flat angles P-C4'-P energy: -74.955
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -764.188027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.188027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.188027 (E_RNA)
where:
Base-Base interactions energy: -319.304
where: short stacking energy: -178.110
Base-Backbone interact. energy: 1.536
local terms energy: -446.419579
where:
bonds (distance) C4'-P energy: -144.868
bonds (distance) P-C4' energy: -135.438
flat angles C4'-P-C4' energy: -141.816
flat angles P-C4'-P energy: -55.843
tors. eta vs tors. theta energy: 31.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -3003.070413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.070413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.070413 (E_RNA)
where:
Base-Base interactions energy: -2020.999
where: short stacking energy: -872.499
Base-Backbone interact. energy: -5.067
local terms energy: -977.005057
where:
bonds (distance) C4'-P energy: -187.684
bonds (distance) P-C4' energy: -190.458
flat angles C4'-P-C4' energy: -215.288
flat angles P-C4'-P energy: -121.676
tors. eta vs tors. theta energy: -261.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2764.385462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.385462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.385462 (E_RNA)
where:
Base-Base interactions energy: -1876.042
where: short stacking energy: -763.794
Base-Backbone interact. energy: -5.685
local terms energy: -882.658966
where:
bonds (distance) C4'-P energy: -171.873
bonds (distance) P-C4' energy: -192.311
flat angles C4'-P-C4' energy: -201.995
flat angles P-C4'-P energy: -110.612
tors. eta vs tors. theta energy: -205.867
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: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2696.980038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.980038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.980038 (E_RNA)
where:
Base-Base interactions energy: -1826.384
where: short stacking energy: -782.504
Base-Backbone interact. energy: 4.302
local terms energy: -874.897826
where:
bonds (distance) C4'-P energy: -161.060
bonds (distance) P-C4' energy: -167.771
flat angles C4'-P-C4' energy: -197.482
flat angles P-C4'-P energy: -128.273
tors. eta vs tors. theta energy: -220.312
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: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2483.353556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.353556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.353556 (E_RNA)
where:
Base-Base interactions energy: -1645.944
where: short stacking energy: -750.454
Base-Backbone interact. energy: -4.764
local terms energy: -832.645897
where:
bonds (distance) C4'-P energy: -149.480
bonds (distance) P-C4' energy: -154.829
flat angles C4'-P-C4' energy: -178.922
flat angles P-C4'-P energy: -123.242
tors. eta vs tors. theta energy: -226.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2146.083379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.083379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.083379 (E_RNA)
where:
Base-Base interactions energy: -1375.353
where: short stacking energy: -621.124
Base-Backbone interact. energy: -0.200
local terms energy: -770.530898
where:
bonds (distance) C4'-P energy: -164.423
bonds (distance) P-C4' energy: -165.260
flat angles C4'-P-C4' energy: -175.323
flat angles P-C4'-P energy: -116.624
tors. eta vs tors. theta energy: -148.901
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: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2036.668224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.668224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.668224 (E_RNA)
where:
Base-Base interactions energy: -1316.933
where: short stacking energy: -585.843
Base-Backbone interact. energy: -3.309
local terms energy: -716.425445
where:
bonds (distance) C4'-P energy: -155.371
bonds (distance) P-C4' energy: -161.574
flat angles C4'-P-C4' energy: -167.925
flat angles P-C4'-P energy: -100.951
tors. eta vs tors. theta energy: -130.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1647.055849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.055849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.055849 (E_RNA)
where:
Base-Base interactions energy: -998.293
where: short stacking energy: -475.268
Base-Backbone interact. energy: -1.380
local terms energy: -647.383435
where:
bonds (distance) C4'-P energy: -172.273
bonds (distance) P-C4' energy: -149.939
flat angles C4'-P-C4' energy: -156.306
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -94.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1403.643953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.643953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.643953 (E_RNA)
where:
Base-Base interactions energy: -823.884
where: short stacking energy: -397.215
Base-Backbone interact. energy: 3.674
local terms energy: -583.433593
where:
bonds (distance) C4'-P energy: -141.995
bonds (distance) P-C4' energy: -163.535
flat angles C4'-P-C4' energy: -142.570
flat angles P-C4'-P energy: -82.760
tors. eta vs tors. theta energy: -52.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1167.051711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.051711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.051711 (E_RNA)
where:
Base-Base interactions energy: -636.007
where: short stacking energy: -311.525
Base-Backbone interact. energy: 5.553
local terms energy: -536.597407
where:
bonds (distance) C4'-P energy: -134.466
bonds (distance) P-C4' energy: -175.091
flat angles C4'-P-C4' energy: -142.544
flat angles P-C4'-P energy: -57.804
tors. eta vs tors. theta energy: -26.692
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: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -688.527646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.527646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.527646 (E_RNA)
where:
Base-Base interactions energy: -258.737
where: short stacking energy: -211.073
Base-Backbone interact. energy: 0.579
local terms energy: -430.369434
where:
bonds (distance) C4'-P energy: -139.020
bonds (distance) P-C4' energy: -117.832
flat angles C4'-P-C4' energy: -146.563
flat angles P-C4'-P energy: -61.038
tors. eta vs tors. theta energy: 34.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2988.199030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.199030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.199030 (E_RNA)
where:
Base-Base interactions energy: -2042.562
where: short stacking energy: -887.663
Base-Backbone interact. energy: -4.833
local terms energy: -940.804218
where:
bonds (distance) C4'-P energy: -174.033
bonds (distance) P-C4' energy: -164.576
flat angles C4'-P-C4' energy: -206.664
flat angles P-C4'-P energy: -131.179
tors. eta vs tors. theta energy: -264.353
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: 113
Temperature: 0.950000
Total energy: -2798.448293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.448293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.448293 (E_RNA)
where:
Base-Base interactions energy: -1904.324
where: short stacking energy: -781.532
Base-Backbone interact. energy: -5.214
local terms energy: -888.910420
where:
bonds (distance) C4'-P energy: -170.065
bonds (distance) P-C4' energy: -172.683
flat angles C4'-P-C4' energy: -190.046
flat angles P-C4'-P energy: -135.098
tors. eta vs tors. theta energy: -221.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2732.579453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.579453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.579453 (E_RNA)
where:
Base-Base interactions energy: -1841.187
where: short stacking energy: -785.878
Base-Backbone interact. energy: -4.081
local terms energy: -887.311285
where:
bonds (distance) C4'-P energy: -167.279
bonds (distance) P-C4' energy: -172.460
flat angles C4'-P-C4' energy: -201.972
flat angles P-C4'-P energy: -131.907
tors. eta vs tors. theta energy: -213.693
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: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2576.820881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.820881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.820881 (E_RNA)
where:
Base-Base interactions energy: -1715.200
where: short stacking energy: -757.700
Base-Backbone interact. energy: -3.195
local terms energy: -858.425579
where:
bonds (distance) C4'-P energy: -157.088
bonds (distance) P-C4' energy: -172.189
flat angles C4'-P-C4' energy: -181.763
flat angles P-C4'-P energy: -123.997
tors. eta vs tors. theta energy: -223.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2186.092907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.092907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.092907 (E_RNA)
where:
Base-Base interactions energy: -1391.744
where: short stacking energy: -637.573
Base-Backbone interact. energy: -1.468
local terms energy: -792.881279
where:
bonds (distance) C4'-P energy: -173.389
bonds (distance) P-C4' energy: -174.062
flat angles C4'-P-C4' energy: -181.876
flat angles P-C4'-P energy: -117.038
tors. eta vs tors. theta energy: -146.516
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: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1985.697222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.697222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.697222 (E_RNA)
where:
Base-Base interactions energy: -1255.040
where: short stacking energy: -567.741
Base-Backbone interact. energy: 3.776
local terms energy: -734.432874
where:
bonds (distance) C4'-P energy: -166.142
bonds (distance) P-C4' energy: -173.157
flat angles C4'-P-C4' energy: -162.242
flat angles P-C4'-P energy: -116.076
tors. eta vs tors. theta energy: -116.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1728.401077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.401077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.401077 (E_RNA)
where:
Base-Base interactions energy: -1032.079
where: short stacking energy: -491.501
Base-Backbone interact. energy: -1.753
local terms energy: -694.569146
where:
bonds (distance) C4'-P energy: -158.242
bonds (distance) P-C4' energy: -152.429
flat angles C4'-P-C4' energy: -184.070
flat angles P-C4'-P energy: -99.814
tors. eta vs tors. theta energy: -100.014
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: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1405.619083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.619083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.619083 (E_RNA)
where:
Base-Base interactions energy: -845.487
where: short stacking energy: -399.165
Base-Backbone interact. energy: -4.850
local terms energy: -555.281546
where:
bonds (distance) C4'-P energy: -147.202
bonds (distance) P-C4' energy: -153.792
flat angles C4'-P-C4' energy: -128.484
flat angles P-C4'-P energy: -75.315
tors. eta vs tors. theta energy: -50.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1105.584016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.584016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.584016 (E_RNA)
where:
Base-Base interactions energy: -613.906
where: short stacking energy: -311.319
Base-Backbone interact. energy: 2.946
local terms energy: -494.623197
where:
bonds (distance) C4'-P energy: -115.612
bonds (distance) P-C4' energy: -156.976
flat angles C4'-P-C4' energy: -139.210
flat angles P-C4'-P energy: -73.811
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -673.888075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.888075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.888075 (E_RNA)
where:
Base-Base interactions energy: -245.660
where: short stacking energy: -189.212
Base-Backbone interact. energy: -2.978
local terms energy: -425.250058
where:
bonds (distance) C4'-P energy: -157.725
bonds (distance) P-C4' energy: -111.126
flat angles C4'-P-C4' energy: -121.587
flat angles P-C4'-P energy: -81.174
tors. eta vs tors. theta energy: 46.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -3011.295111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.295111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.295111 (E_RNA)
where:
Base-Base interactions energy: -2027.209
where: short stacking energy: -907.167
Base-Backbone interact. energy: -5.661
local terms energy: -978.426063
where:
bonds (distance) C4'-P energy: -169.799
bonds (distance) P-C4' energy: -188.676
flat angles C4'-P-C4' energy: -202.934
flat angles P-C4'-P energy: -136.135
tors. eta vs tors. theta energy: -280.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2774.768390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.768390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.768390 (E_RNA)
where:
Base-Base interactions energy: -1906.587
where: short stacking energy: -775.710
Base-Backbone interact. energy: -7.549
local terms energy: -860.632517
where:
bonds (distance) C4'-P energy: -152.901
bonds (distance) P-C4' energy: -181.435
flat angles C4'-P-C4' energy: -190.241
flat angles P-C4'-P energy: -127.596
tors. eta vs tors. theta energy: -208.460
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: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2713.811708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.811708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.811708 (E_RNA)
where:
Base-Base interactions energy: -1803.390
where: short stacking energy: -801.978
Base-Backbone interact. energy: -2.184
local terms energy: -908.237243
where:
bonds (distance) C4'-P energy: -157.595
bonds (distance) P-C4' energy: -176.472
flat angles C4'-P-C4' energy: -193.086
flat angles P-C4'-P energy: -140.611
tors. eta vs tors. theta energy: -240.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2573.124575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.124575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.124575 (E_RNA)
where:
Base-Base interactions energy: -1717.313
where: short stacking energy: -770.580
Base-Backbone interact. energy: -0.102
local terms energy: -855.709539
where:
bonds (distance) C4'-P energy: -141.977
bonds (distance) P-C4' energy: -174.206
flat angles C4'-P-C4' energy: -197.511
flat angles P-C4'-P energy: -118.608
tors. eta vs tors. theta energy: -223.407
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2193.305994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.305994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.305994 (E_RNA)
where:
Base-Base interactions energy: -1455.264
where: short stacking energy: -650.841
Base-Backbone interact. energy: 2.751
local terms energy: -740.792164
where:
bonds (distance) C4'-P energy: -158.420
bonds (distance) P-C4' energy: -152.410
flat angles C4'-P-C4' energy: -168.532
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -164.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1964.042022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.042022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.042022 (E_RNA)
where:
Base-Base interactions energy: -1316.408
where: short stacking energy: -590.466
Base-Backbone interact. energy: -2.339
local terms energy: -645.294368
where:
bonds (distance) C4'-P energy: -154.344
bonds (distance) P-C4' energy: -136.738
flat angles C4'-P-C4' energy: -145.544
flat angles P-C4'-P energy: -73.470
tors. eta vs tors. theta energy: -135.197
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: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1684.910059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.910059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.910059 (E_RNA)
where:
Base-Base interactions energy: -1044.943
where: short stacking energy: -501.326
Base-Backbone interact. energy: 1.707
local terms energy: -641.674187
where:
bonds (distance) C4'-P energy: -127.314
bonds (distance) P-C4' energy: -160.175
flat angles C4'-P-C4' energy: -139.922
flat angles P-C4'-P energy: -114.034
tors. eta vs tors. theta energy: -100.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1367.704304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.704304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.704304 (E_RNA)
where:
Base-Base interactions energy: -781.200
where: short stacking energy: -369.030
Base-Backbone interact. energy: -0.143
local terms energy: -586.360793
where:
bonds (distance) C4'-P energy: -158.764
bonds (distance) P-C4' energy: -153.761
flat angles C4'-P-C4' energy: -135.743
flat angles P-C4'-P energy: -101.179
tors. eta vs tors. theta energy: -36.912
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: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1067.434165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.434165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.434165 (E_RNA)
where:
Base-Base interactions energy: -563.728
where: short stacking energy: -286.845
Base-Backbone interact. energy: -1.862
local terms energy: -501.844687
where:
bonds (distance) C4'-P energy: -134.503
bonds (distance) P-C4' energy: -151.496
flat angles C4'-P-C4' energy: -139.709
flat angles P-C4'-P energy: -77.968
tors. eta vs tors. theta energy: 1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -698.174169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.174169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.174169 (E_RNA)
where:
Base-Base interactions energy: -260.225
where: short stacking energy: -177.845
Base-Backbone interact. energy: -0.970
local terms energy: -436.979650
where:
bonds (distance) C4'-P energy: -126.583
bonds (distance) P-C4' energy: -140.626
flat angles C4'-P-C4' energy: -127.049
flat angles P-C4'-P energy: -83.151
tors. eta vs tors. theta energy: 40.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -3025.370549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.370549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.370549 (E_RNA)
where:
Base-Base interactions energy: -2026.585
where: short stacking energy: -909.086
Base-Backbone interact. energy: -1.340
local terms energy: -997.445444
where:
bonds (distance) C4'-P energy: -189.017
bonds (distance) P-C4' energy: -194.876
flat angles C4'-P-C4' energy: -202.056
flat angles P-C4'-P energy: -153.861
tors. eta vs tors. theta energy: -257.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2794.708468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.708468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.708468 (E_RNA)
where:
Base-Base interactions energy: -1886.296
where: short stacking energy: -790.604
Base-Backbone interact. energy: -2.551
local terms energy: -905.861967
where:
bonds (distance) C4'-P energy: -177.531
bonds (distance) P-C4' energy: -164.970
flat angles C4'-P-C4' energy: -211.985
flat angles P-C4'-P energy: -124.770
tors. eta vs tors. theta energy: -226.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2699.665284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.665284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.665284 (E_RNA)
where:
Base-Base interactions energy: -1817.474
where: short stacking energy: -773.584
Base-Backbone interact. energy: 2.875
local terms energy: -885.065691
where:
bonds (distance) C4'-P energy: -161.058
bonds (distance) P-C4' energy: -176.247
flat angles C4'-P-C4' energy: -190.970
flat angles P-C4'-P energy: -141.882
tors. eta vs tors. theta energy: -214.908
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: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2561.111964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.111964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.111964 (E_RNA)
where:
Base-Base interactions energy: -1706.392
where: short stacking energy: -750.953
Base-Backbone interact. energy: -1.321
local terms energy: -853.398600
where:
bonds (distance) C4'-P energy: -162.899
bonds (distance) P-C4' energy: -160.597
flat angles C4'-P-C4' energy: -186.483
flat angles P-C4'-P energy: -123.633
tors. eta vs tors. theta energy: -219.787
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: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2262.182526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.182526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.182526 (E_RNA)
where:
Base-Base interactions energy: -1460.707
where: short stacking energy: -661.351
Base-Backbone interact. energy: -4.204
local terms energy: -797.272222
where:
bonds (distance) C4'-P energy: -163.796
bonds (distance) P-C4' energy: -177.287
flat angles C4'-P-C4' energy: -174.543
flat angles P-C4'-P energy: -107.728
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: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1920.433298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.433298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.433298 (E_RNA)
where:
Base-Base interactions energy: -1265.282
where: short stacking energy: -560.701
Base-Backbone interact. energy: 1.287
local terms energy: -656.437917
where:
bonds (distance) C4'-P energy: -154.749
bonds (distance) P-C4' energy: -145.478
flat angles C4'-P-C4' energy: -153.208
flat angles P-C4'-P energy: -98.183
tors. eta vs tors. theta energy: -104.820
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: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1621.760518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.760518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.760518 (E_RNA)
where:
Base-Base interactions energy: -986.985
where: short stacking energy: -479.470
Base-Backbone interact. energy: 0.851
local terms energy: -635.626934
where:
bonds (distance) C4'-P energy: -129.693
bonds (distance) P-C4' energy: -164.210
flat angles C4'-P-C4' energy: -149.524
flat angles P-C4'-P energy: -102.027
tors. eta vs tors. theta energy: -90.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1492.275861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.275861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.275861 (E_RNA)
where:
Base-Base interactions energy: -883.758
where: short stacking energy: -405.682
Base-Backbone interact. energy: -2.889
local terms energy: -605.629190
where:
bonds (distance) C4'-P energy: -159.392
bonds (distance) P-C4' energy: -143.023
flat angles C4'-P-C4' energy: -141.222
flat angles P-C4'-P energy: -105.646
tors. eta vs tors. theta energy: -56.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1008.335800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.335800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.335800 (E_RNA)
where:
Base-Base interactions energy: -530.555
where: short stacking energy: -304.627
Base-Backbone interact. energy: -1.734
local terms energy: -476.046164
where:
bonds (distance) C4'-P energy: -145.817
bonds (distance) P-C4' energy: -139.890
flat angles C4'-P-C4' energy: -126.616
flat angles P-C4'-P energy: -50.135
tors. eta vs tors. theta energy: -13.588
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: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -729.092986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.092986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.092986 (E_RNA)
where:
Base-Base interactions energy: -294.891
where: short stacking energy: -217.818
Base-Backbone interact. energy: 2.414
local terms energy: -436.616341
where:
bonds (distance) C4'-P energy: -142.363
bonds (distance) P-C4' energy: -127.262
flat angles C4'-P-C4' energy: -122.748
flat angles P-C4'-P energy: -71.485
tors. eta vs tors. theta energy: 27.241
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: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2989.176489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.176489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.176489 (E_RNA)
where:
Base-Base interactions energy: -2028.808
where: short stacking energy: -881.703
Base-Backbone interact. energy: -4.711
local terms energy: -955.657011
where:
bonds (distance) C4'-P energy: -170.650
bonds (distance) P-C4' energy: -183.031
flat angles C4'-P-C4' energy: -201.851
flat angles P-C4'-P energy: -139.661
tors. eta vs tors. theta energy: -260.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2793.661438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.661438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.661438 (E_RNA)
where:
Base-Base interactions energy: -1887.965
where: short stacking energy: -803.120
Base-Backbone interact. energy: -0.396
local terms energy: -905.301249
where:
bonds (distance) C4'-P energy: -184.509
bonds (distance) P-C4' energy: -180.917
flat angles C4'-P-C4' energy: -192.496
flat angles P-C4'-P energy: -126.346
tors. eta vs tors. theta energy: -221.034
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: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2672.188889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.188889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.188889 (E_RNA)
where:
Base-Base interactions energy: -1827.181
where: short stacking energy: -786.244
Base-Backbone interact. energy: -4.531
local terms energy: -840.476756
where:
bonds (distance) C4'-P energy: -162.975
bonds (distance) P-C4' energy: -139.680
flat angles C4'-P-C4' energy: -193.378
flat angles P-C4'-P energy: -114.160
tors. eta vs tors. theta energy: -230.284
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: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2625.518004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.518004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.518004 (E_RNA)
where:
Base-Base interactions energy: -1739.497
where: short stacking energy: -804.802
Base-Backbone interact. energy: -3.607
local terms energy: -882.414253
where:
bonds (distance) C4'-P energy: -158.111
bonds (distance) P-C4' energy: -172.553
flat angles C4'-P-C4' energy: -189.969
flat angles P-C4'-P energy: -112.987
tors. eta vs tors. theta energy: -248.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2183.209810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.209810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.209810 (E_RNA)
where:
Base-Base interactions energy: -1368.966
where: short stacking energy: -623.021
Base-Backbone interact. energy: -2.152
local terms energy: -812.091480
where:
bonds (distance) C4'-P energy: -174.366
bonds (distance) P-C4' energy: -174.642
flat angles C4'-P-C4' energy: -190.437
flat angles P-C4'-P energy: -105.372
tors. eta vs tors. theta energy: -167.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1987.108619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.108619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.108619 (E_RNA)
where:
Base-Base interactions energy: -1327.185
where: short stacking energy: -599.031
Base-Backbone interact. energy: 3.968
local terms energy: -663.891971
where:
bonds (distance) C4'-P energy: -138.869
bonds (distance) P-C4' energy: -145.572
flat angles C4'-P-C4' energy: -150.246
flat angles P-C4'-P energy: -107.443
tors. eta vs tors. theta energy: -121.762
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: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1659.203252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.203252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.203252 (E_RNA)
where:
Base-Base interactions energy: -1036.686
where: short stacking energy: -473.582
Base-Backbone interact. energy: 0.063
local terms energy: -622.580640
where:
bonds (distance) C4'-P energy: -158.235
bonds (distance) P-C4' energy: -139.374
flat angles C4'-P-C4' energy: -135.812
flat angles P-C4'-P energy: -93.924
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: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1522.733079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.733079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.733079 (E_RNA)
where:
Base-Base interactions energy: -905.833
where: short stacking energy: -414.886
Base-Backbone interact. energy: 6.828
local terms energy: -623.728965
where:
bonds (distance) C4'-P energy: -171.490
bonds (distance) P-C4' energy: -159.309
flat angles C4'-P-C4' energy: -132.358
flat angles P-C4'-P energy: -104.172
tors. eta vs tors. theta energy: -56.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1123.662270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.662270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.662270 (E_RNA)
where:
Base-Base interactions energy: -624.340
where: short stacking energy: -320.262
Base-Backbone interact. energy: -0.221
local terms energy: -499.101882
where:
bonds (distance) C4'-P energy: -115.455
bonds (distance) P-C4' energy: -148.177
flat angles C4'-P-C4' energy: -141.768
flat angles P-C4'-P energy: -91.207
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -674.598534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.598534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.598534 (E_RNA)
where:
Base-Base interactions energy: -225.126
where: short stacking energy: -177.846
Base-Backbone interact. energy: 1.724
local terms energy: -451.196251
where:
bonds (distance) C4'-P energy: -136.496
bonds (distance) P-C4' energy: -144.529
flat angles C4'-P-C4' energy: -142.234
flat angles P-C4'-P energy: -59.129
tors. eta vs tors. theta energy: 31.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2989.906676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.906676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.906676 (E_RNA)
where:
Base-Base interactions energy: -2020.554
where: short stacking energy: -838.694
Base-Backbone interact. energy: -6.799
local terms energy: -962.554102
where:
bonds (distance) C4'-P energy: -184.878
bonds (distance) P-C4' energy: -196.378
flat angles C4'-P-C4' energy: -200.153
flat angles P-C4'-P energy: -121.913
tors. eta vs tors. theta energy: -259.231
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: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2818.636377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.636377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.636377 (E_RNA)
where:
Base-Base interactions energy: -1923.306
where: short stacking energy: -801.570
Base-Backbone interact. energy: -5.828
local terms energy: -889.502037
where:
bonds (distance) C4'-P energy: -164.219
bonds (distance) P-C4' energy: -179.346
flat angles C4'-P-C4' energy: -178.902
flat angles P-C4'-P energy: -126.831
tors. eta vs tors. theta energy: -240.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2706.001488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.001488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.001488 (E_RNA)
where:
Base-Base interactions energy: -1813.811
where: short stacking energy: -791.343
Base-Backbone interact. energy: 5.840
local terms energy: -898.030646
where:
bonds (distance) C4'-P energy: -164.469
bonds (distance) P-C4' energy: -175.926
flat angles C4'-P-C4' energy: -200.677
flat angles P-C4'-P energy: -136.004
tors. eta vs tors. theta energy: -220.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2611.348219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.348219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.348219 (E_RNA)
where:
Base-Base interactions energy: -1729.491
where: short stacking energy: -780.763
Base-Backbone interact. energy: -4.100
local terms energy: -877.757312
where:
bonds (distance) C4'-P energy: -136.348
bonds (distance) P-C4' energy: -174.733
flat angles C4'-P-C4' energy: -200.205
flat angles P-C4'-P energy: -127.663
tors. eta vs tors. theta energy: -238.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2255.727973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.727973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.727973 (E_RNA)
where:
Base-Base interactions energy: -1488.889
where: short stacking energy: -706.201
Base-Backbone interact. energy: -3.448
local terms energy: -763.391155
where:
bonds (distance) C4'-P energy: -150.625
bonds (distance) P-C4' energy: -163.848
flat angles C4'-P-C4' energy: -173.587
flat angles P-C4'-P energy: -99.061
tors. eta vs tors. theta energy: -176.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1991.916919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.916919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.916919 (E_RNA)
where:
Base-Base interactions energy: -1297.013
where: short stacking energy: -577.096
Base-Backbone interact. energy: -1.510
local terms energy: -693.393541
where:
bonds (distance) C4'-P energy: -151.475
bonds (distance) P-C4' energy: -159.215
flat angles C4'-P-C4' energy: -169.684
flat angles P-C4'-P energy: -78.708
tors. eta vs tors. theta energy: -134.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1608.887092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.887092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.887092 (E_RNA)
where:
Base-Base interactions energy: -983.264
where: short stacking energy: -439.140
Base-Backbone interact. energy: -4.766
local terms energy: -620.857256
where:
bonds (distance) C4'-P energy: -161.325
bonds (distance) P-C4' energy: -152.924
flat angles C4'-P-C4' energy: -164.963
flat angles P-C4'-P energy: -79.646
tors. eta vs tors. theta energy: -61.998
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1455.367837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.367837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.367837 (E_RNA)
where:
Base-Base interactions energy: -866.728
where: short stacking energy: -389.260
Base-Backbone interact. energy: -1.095
local terms energy: -587.544342
where:
bonds (distance) C4'-P energy: -149.000
bonds (distance) P-C4' energy: -151.391
flat angles C4'-P-C4' energy: -141.026
flat angles P-C4'-P energy: -77.352
tors. eta vs tors. theta energy: -68.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1031.602623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.602623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.602623 (E_RNA)
where:
Base-Base interactions energy: -571.130
where: short stacking energy: -299.141
Base-Backbone interact. energy: -1.956
local terms energy: -458.516510
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -129.772
flat angles C4'-P-C4' energy: -129.306
flat angles P-C4'-P energy: -60.410
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: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -659.961442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.961442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.961442 (E_RNA)
where:
Base-Base interactions energy: -228.599
where: short stacking energy: -194.205
Base-Backbone interact. energy: -3.837
local terms energy: -427.524689
where:
bonds (distance) C4'-P energy: -127.178
bonds (distance) P-C4' energy: -147.630
flat angles C4'-P-C4' energy: -127.767
flat angles P-C4'-P energy: -59.861
tors. eta vs tors. theta energy: 34.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2978.571468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.571468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.571468 (E_RNA)
where:
Base-Base interactions energy: -2036.940
where: short stacking energy: -872.305
Base-Backbone interact. energy: -0.371
local terms energy: -941.260949
where:
bonds (distance) C4'-P energy: -162.910
bonds (distance) P-C4' energy: -175.390
flat angles C4'-P-C4' energy: -206.177
flat angles P-C4'-P energy: -134.898
tors. eta vs tors. theta energy: -261.885
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: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2812.035756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.035756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.035756 (E_RNA)
where:
Base-Base interactions energy: -1909.164
where: short stacking energy: -811.731
Base-Backbone interact. energy: -3.372
local terms energy: -899.499526
where:
bonds (distance) C4'-P energy: -177.419
bonds (distance) P-C4' energy: -175.164
flat angles C4'-P-C4' energy: -186.892
flat angles P-C4'-P energy: -124.055
tors. eta vs tors. theta energy: -235.970
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: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2686.193229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.193229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.193229 (E_RNA)
where:
Base-Base interactions energy: -1816.970
where: short stacking energy: -812.220
Base-Backbone interact. energy: -0.258
local terms energy: -868.965705
where:
bonds (distance) C4'-P energy: -167.101
bonds (distance) P-C4' energy: -163.346
flat angles C4'-P-C4' energy: -195.555
flat angles P-C4'-P energy: -119.235
tors. eta vs tors. theta energy: -223.728
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: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2596.927159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.927159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.927159 (E_RNA)
where:
Base-Base interactions energy: -1734.014
where: short stacking energy: -742.031
Base-Backbone interact. energy: -0.126
local terms energy: -862.787673
where:
bonds (distance) C4'-P energy: -165.566
bonds (distance) P-C4' energy: -166.233
flat angles C4'-P-C4' energy: -187.818
flat angles P-C4'-P energy: -117.430
tors. eta vs tors. theta energy: -225.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2276.898232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.898232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.898232 (E_RNA)
where:
Base-Base interactions energy: -1500.599
where: short stacking energy: -693.233
Base-Backbone interact. energy: -2.990
local terms energy: -773.309368
where:
bonds (distance) C4'-P energy: -155.579
bonds (distance) P-C4' energy: -158.951
flat angles C4'-P-C4' energy: -171.620
flat angles P-C4'-P energy: -97.132
tors. eta vs tors. theta energy: -190.027
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: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1854.824120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.824120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.824120 (E_RNA)
where:
Base-Base interactions energy: -1197.314
where: short stacking energy: -520.140
Base-Backbone interact. energy: -2.447
local terms energy: -655.063193
where:
bonds (distance) C4'-P energy: -142.914
bonds (distance) P-C4' energy: -175.101
flat angles C4'-P-C4' energy: -155.583
flat angles P-C4'-P energy: -73.100
tors. eta vs tors. theta energy: -108.364
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: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1694.737059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.737059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.737059 (E_RNA)
where:
Base-Base interactions energy: -1032.117
where: short stacking energy: -475.721
Base-Backbone interact. energy: -2.466
local terms energy: -660.153719
where:
bonds (distance) C4'-P energy: -136.560
bonds (distance) P-C4' energy: -145.770
flat angles C4'-P-C4' energy: -176.513
flat angles P-C4'-P energy: -103.168
tors. eta vs tors. theta energy: -98.144
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: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1402.724220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.724220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.724220 (E_RNA)
where:
Base-Base interactions energy: -785.790
where: short stacking energy: -374.779
Base-Backbone interact. energy: 2.755
local terms energy: -619.689335
where:
bonds (distance) C4'-P energy: -164.319
bonds (distance) P-C4' energy: -178.529
flat angles C4'-P-C4' energy: -135.615
flat angles P-C4'-P energy: -94.790
tors. eta vs tors. theta energy: -46.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1046.815627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.815627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.815627 (E_RNA)
where:
Base-Base interactions energy: -543.531
where: short stacking energy: -308.275
Base-Backbone interact. energy: 13.641
local terms energy: -516.925639
where:
bonds (distance) C4'-P energy: -132.057
bonds (distance) P-C4' energy: -145.415
flat angles C4'-P-C4' energy: -148.925
flat angles P-C4'-P energy: -70.520
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -655.397281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.397281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.397281 (E_RNA)
where:
Base-Base interactions energy: -221.192
where: short stacking energy: -169.254
Base-Backbone interact. energy: -1.338
local terms energy: -432.867183
where:
bonds (distance) C4'-P energy: -137.525
bonds (distance) P-C4' energy: -144.044
flat angles C4'-P-C4' energy: -91.587
flat angles P-C4'-P energy: -76.173
tors. eta vs tors. theta energy: 16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2987.926980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.926980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.926980 (E_RNA)
where:
Base-Base interactions energy: -2018.527
where: short stacking energy: -865.562
Base-Backbone interact. energy: -1.820
local terms energy: -967.579969
where:
bonds (distance) C4'-P energy: -166.962
bonds (distance) P-C4' energy: -187.197
flat angles C4'-P-C4' energy: -210.862
flat angles P-C4'-P energy: -137.791
tors. eta vs tors. theta energy: -264.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2854.332578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.332578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.332578 (E_RNA)
where:
Base-Base interactions energy: -1946.755
where: short stacking energy: -788.028
Base-Backbone interact. energy: -2.782
local terms energy: -904.795344
where:
bonds (distance) C4'-P energy: -186.561
bonds (distance) P-C4' energy: -171.291
flat angles C4'-P-C4' energy: -192.334
flat angles P-C4'-P energy: -123.664
tors. eta vs tors. theta energy: -230.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2678.506862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.506862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.506862 (E_RNA)
where:
Base-Base interactions energy: -1804.704
where: short stacking energy: -782.319
Base-Backbone interact. energy: -3.061
local terms energy: -870.742567
where:
bonds (distance) C4'-P energy: -170.709
bonds (distance) P-C4' energy: -167.616
flat angles C4'-P-C4' energy: -193.142
flat angles P-C4'-P energy: -122.956
tors. eta vs tors. theta energy: -216.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2574.140357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.140357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.140357 (E_RNA)
where:
Base-Base interactions energy: -1705.142
where: short stacking energy: -772.022
Base-Backbone interact. energy: -2.274
local terms energy: -866.724157
where:
bonds (distance) C4'-P energy: -169.714
bonds (distance) P-C4' energy: -172.310
flat angles C4'-P-C4' energy: -181.845
flat angles P-C4'-P energy: -117.184
tors. eta vs tors. theta energy: -225.672
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: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2218.894707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.894707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.894707 (E_RNA)
where:
Base-Base interactions energy: -1417.152
where: short stacking energy: -652.062
Base-Backbone interact. energy: -3.127
local terms energy: -798.615288
where:
bonds (distance) C4'-P energy: -154.224
bonds (distance) P-C4' energy: -170.249
flat angles C4'-P-C4' energy: -180.122
flat angles P-C4'-P energy: -125.694
tors. eta vs tors. theta energy: -168.328
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: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1861.751971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.751971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.751971 (E_RNA)
where:
Base-Base interactions energy: -1200.463
where: short stacking energy: -511.414
Base-Backbone interact. energy: -3.392
local terms energy: -657.897502
where:
bonds (distance) C4'-P energy: -170.404
bonds (distance) P-C4' energy: -157.087
flat angles C4'-P-C4' energy: -144.159
flat angles P-C4'-P energy: -95.293
tors. eta vs tors. theta energy: -90.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1637.942218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.942218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.942218 (E_RNA)
where:
Base-Base interactions energy: -1007.875
where: short stacking energy: -469.206
Base-Backbone interact. energy: 3.851
local terms energy: -633.918322
where:
bonds (distance) C4'-P energy: -143.148
bonds (distance) P-C4' energy: -153.667
flat angles C4'-P-C4' energy: -170.241
flat angles P-C4'-P energy: -92.189
tors. eta vs tors. theta energy: -74.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1367.428251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.428251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.428251 (E_RNA)
where:
Base-Base interactions energy: -788.433
where: short stacking energy: -349.205
Base-Backbone interact. energy: 4.239
local terms energy: -583.234152
where:
bonds (distance) C4'-P energy: -141.946
bonds (distance) P-C4' energy: -158.887
flat angles C4'-P-C4' energy: -148.854
flat angles P-C4'-P energy: -85.632
tors. eta vs tors. theta energy: -47.915
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: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1018.759018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.759018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.759018 (E_RNA)
where:
Base-Base interactions energy: -514.727
where: short stacking energy: -272.692
Base-Backbone interact. energy: -3.841
local terms energy: -500.190952
where:
bonds (distance) C4'-P energy: -154.198
bonds (distance) P-C4' energy: -140.797
flat angles C4'-P-C4' energy: -132.822
flat angles P-C4'-P energy: -89.260
tors. eta vs tors. theta energy: 16.886
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: 119
Temperature: 1.350000
Total energy: -648.871102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.871102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.871102 (E_RNA)
where:
Base-Base interactions energy: -217.321
where: short stacking energy: -161.466
Base-Backbone interact. energy: 7.632
local terms energy: -439.182349
where:
bonds (distance) C4'-P energy: -135.192
bonds (distance) P-C4' energy: -158.437
flat angles C4'-P-C4' energy: -149.764
flat angles P-C4'-P energy: -58.548
tors. eta vs tors. theta energy: 62.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2994.919082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.919082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.919082 (E_RNA)
where:
Base-Base interactions energy: -2015.339
where: short stacking energy: -874.768
Base-Backbone interact. energy: -1.888
local terms energy: -977.691846
where:
bonds (distance) C4'-P energy: -187.715
bonds (distance) P-C4' energy: -188.307
flat angles C4'-P-C4' energy: -186.862
flat angles P-C4'-P energy: -146.104
tors. eta vs tors. theta energy: -268.704
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: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2848.937992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.937992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.937992 (E_RNA)
where:
Base-Base interactions energy: -1959.961
where: short stacking energy: -779.127
Base-Backbone interact. energy: -1.838
local terms energy: -887.139860
where:
bonds (distance) C4'-P energy: -160.903
bonds (distance) P-C4' energy: -178.440
flat angles C4'-P-C4' energy: -208.330
flat angles P-C4'-P energy: -121.454
tors. eta vs tors. theta energy: -218.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2719.368643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.368643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.368643 (E_RNA)
where:
Base-Base interactions energy: -1840.797
where: short stacking energy: -804.493
Base-Backbone interact. energy: -3.887
local terms energy: -874.684269
where:
bonds (distance) C4'-P energy: -169.128
bonds (distance) P-C4' energy: -170.025
flat angles C4'-P-C4' energy: -192.527
flat angles P-C4'-P energy: -117.212
tors. eta vs tors. theta energy: -225.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2592.420226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.420226 (E_RNA)
where:
Base-Base interactions energy: -1769.814
where: short stacking energy: -769.710
Base-Backbone interact. energy: 2.959
local terms energy: -825.564413
where:
bonds (distance) C4'-P energy: -142.290
bonds (distance) P-C4' energy: -157.793
flat angles C4'-P-C4' energy: -187.779
flat angles P-C4'-P energy: -115.458
tors. eta vs tors. theta energy: -222.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2192.228938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.228938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.228938 (E_RNA)
where:
Base-Base interactions energy: -1437.975
where: short stacking energy: -655.398
Base-Backbone interact. energy: -3.259
local terms energy: -750.995360
where:
bonds (distance) C4'-P energy: -155.049
bonds (distance) P-C4' energy: -144.094
flat angles C4'-P-C4' energy: -186.641
flat angles P-C4'-P energy: -104.989
tors. eta vs tors. theta energy: -160.223
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: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1953.829415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.829415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.829415 (E_RNA)
where:
Base-Base interactions energy: -1262.707
where: short stacking energy: -571.661
Base-Backbone interact. energy: -2.596
local terms energy: -688.526856
where:
bonds (distance) C4'-P energy: -133.057
bonds (distance) P-C4' energy: -172.302
flat angles C4'-P-C4' energy: -163.360
flat angles P-C4'-P energy: -103.916
tors. eta vs tors. theta energy: -115.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1676.169469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.169469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.169469 (E_RNA)
where:
Base-Base interactions energy: -1029.788
where: short stacking energy: -456.936
Base-Backbone interact. energy: 4.885
local terms energy: -651.266100
where:
bonds (distance) C4'-P energy: -146.207
bonds (distance) P-C4' energy: -163.028
flat angles C4'-P-C4' energy: -157.409
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -83.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1361.143055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.143055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.143055 (E_RNA)
where:
Base-Base interactions energy: -797.367
where: short stacking energy: -390.862
Base-Backbone interact. energy: 0.599
local terms energy: -564.374193
where:
bonds (distance) C4'-P energy: -145.816
bonds (distance) P-C4' energy: -144.222
flat angles C4'-P-C4' energy: -148.817
flat angles P-C4'-P energy: -82.044
tors. eta vs tors. theta energy: -43.475
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: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -977.647091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.647091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.647091 (E_RNA)
where:
Base-Base interactions energy: -451.079
where: short stacking energy: -250.288
Base-Backbone interact. energy: -2.976
local terms energy: -523.591908
where:
bonds (distance) C4'-P energy: -132.126
bonds (distance) P-C4' energy: -174.729
flat angles C4'-P-C4' energy: -136.546
flat angles P-C4'-P energy: -84.387
tors. eta vs tors. theta energy: 4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -654.946074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.946074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.946074 (E_RNA)
where:
Base-Base interactions energy: -219.723
where: short stacking energy: -177.703
Base-Backbone interact. energy: -0.620
local terms energy: -434.603417
where:
bonds (distance) C4'-P energy: -136.349
bonds (distance) P-C4' energy: -128.026
flat angles C4'-P-C4' energy: -131.398
flat angles P-C4'-P energy: -65.075
tors. eta vs tors. theta energy: 26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -3008.109515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.109515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.109515 (E_RNA)
where:
Base-Base interactions energy: -2017.785
where: short stacking energy: -883.705
Base-Backbone interact. energy: -6.172
local terms energy: -984.152636
where:
bonds (distance) C4'-P energy: -192.206
bonds (distance) P-C4' energy: -188.678
flat angles C4'-P-C4' energy: -209.303
flat angles P-C4'-P energy: -131.437
tors. eta vs tors. theta energy: -262.529
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2838.884907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.884907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.884907 (E_RNA)
where:
Base-Base interactions energy: -1965.398
where: short stacking energy: -772.554
Base-Backbone interact. energy: -3.483
local terms energy: -870.004215
where:
bonds (distance) C4'-P energy: -160.915
bonds (distance) P-C4' energy: -175.418
flat angles C4'-P-C4' energy: -189.183
flat angles P-C4'-P energy: -121.235
tors. eta vs tors. theta energy: -223.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2664.725758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.725758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.725758 (E_RNA)
where:
Base-Base interactions energy: -1781.858
where: short stacking energy: -756.106
Base-Backbone interact. energy: 4.323
local terms energy: -887.190422
where:
bonds (distance) C4'-P energy: -164.136
bonds (distance) P-C4' energy: -176.472
flat angles C4'-P-C4' energy: -196.728
flat angles P-C4'-P energy: -127.622
tors. eta vs tors. theta energy: -222.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2584.750444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.750444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.750444 (E_RNA)
where:
Base-Base interactions energy: -1732.990
where: short stacking energy: -752.043
Base-Backbone interact. energy: -2.294
local terms energy: -849.467340
where:
bonds (distance) C4'-P energy: -169.952
bonds (distance) P-C4' energy: -173.830
flat angles C4'-P-C4' energy: -185.276
flat angles P-C4'-P energy: -107.884
tors. eta vs tors. theta energy: -212.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2219.735072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.735072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.735072 (E_RNA)
where:
Base-Base interactions energy: -1440.106
where: short stacking energy: -628.586
Base-Backbone interact. energy: 1.765
local terms energy: -781.394804
where:
bonds (distance) C4'-P energy: -161.970
bonds (distance) P-C4' energy: -150.195
flat angles C4'-P-C4' energy: -172.694
flat angles P-C4'-P energy: -127.427
tors. eta vs tors. theta energy: -169.109
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: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1913.167313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.167313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.167313 (E_RNA)
where:
Base-Base interactions energy: -1196.488
where: short stacking energy: -534.137
Base-Backbone interact. energy: -4.555
local terms energy: -712.124010
where:
bonds (distance) C4'-P energy: -156.049
bonds (distance) P-C4' energy: -159.476
flat angles C4'-P-C4' energy: -163.100
flat angles P-C4'-P energy: -106.093
tors. eta vs tors. theta energy: -127.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1717.003139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.003139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.003139 (E_RNA)
where:
Base-Base interactions energy: -1082.411
where: short stacking energy: -494.828
Base-Backbone interact. energy: -2.338
local terms energy: -632.254390
where:
bonds (distance) C4'-P energy: -142.333
bonds (distance) P-C4' energy: -149.970
flat angles C4'-P-C4' energy: -153.614
flat angles P-C4'-P energy: -103.542
tors. eta vs tors. theta energy: -82.795
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: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1389.263231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.263231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.263231 (E_RNA)
where:
Base-Base interactions energy: -821.751
where: short stacking energy: -379.334
Base-Backbone interact. energy: -0.487
local terms energy: -567.025758
where:
bonds (distance) C4'-P energy: -129.049
bonds (distance) P-C4' energy: -147.839
flat angles C4'-P-C4' energy: -147.198
flat angles P-C4'-P energy: -104.073
tors. eta vs tors. theta energy: -38.868
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -981.089854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.089854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.089854 (E_RNA)
where:
Base-Base interactions energy: -527.612
where: short stacking energy: -290.635
Base-Backbone interact. energy: -0.238
local terms energy: -453.240047
where:
bonds (distance) C4'-P energy: -121.903
bonds (distance) P-C4' energy: -143.967
flat angles C4'-P-C4' energy: -135.953
flat angles P-C4'-P energy: -51.178
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -680.842386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.842386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.842386 (E_RNA)
where:
Base-Base interactions energy: -242.967
where: short stacking energy: -187.340
Base-Backbone interact. energy: 2.811
local terms energy: -440.686472
where:
bonds (distance) C4'-P energy: -131.108
bonds (distance) P-C4' energy: -159.223
flat angles C4'-P-C4' energy: -119.072
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: 48.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -3007.970030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.970030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.970030 (E_RNA)
where:
Base-Base interactions energy: -2039.299
where: short stacking energy: -869.544
Base-Backbone interact. energy: -2.427
local terms energy: -966.243559
where:
bonds (distance) C4'-P energy: -178.992
bonds (distance) P-C4' energy: -180.569
flat angles C4'-P-C4' energy: -203.397
flat angles P-C4'-P energy: -145.983
tors. eta vs tors. theta energy: -257.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2811.735943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.735943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.735943 (E_RNA)
where:
Base-Base interactions energy: -1916.054
where: short stacking energy: -797.526
Base-Backbone interact. energy: -4.911
local terms energy: -890.770805
where:
bonds (distance) C4'-P energy: -169.565
bonds (distance) P-C4' energy: -187.336
flat angles C4'-P-C4' energy: -190.979
flat angles P-C4'-P energy: -111.890
tors. eta vs tors. theta energy: -231.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2635.474238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.474238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.474238 (E_RNA)
where:
Base-Base interactions energy: -1773.293
where: short stacking energy: -774.966
Base-Backbone interact. energy: -2.738
local terms energy: -859.442869
where:
bonds (distance) C4'-P energy: -164.892
bonds (distance) P-C4' energy: -155.380
flat angles C4'-P-C4' energy: -189.465
flat angles P-C4'-P energy: -110.832
tors. eta vs tors. theta energy: -238.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2577.878450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.878450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.878450 (E_RNA)
where:
Base-Base interactions energy: -1778.251
where: short stacking energy: -759.601
Base-Backbone interact. energy: -1.260
local terms energy: -798.368131
where:
bonds (distance) C4'-P energy: -163.955
bonds (distance) P-C4' energy: -158.260
flat angles C4'-P-C4' energy: -163.091
flat angles P-C4'-P energy: -106.830
tors. eta vs tors. theta energy: -206.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2226.826596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.826596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.826596 (E_RNA)
where:
Base-Base interactions energy: -1448.468
where: short stacking energy: -631.204
Base-Backbone interact. energy: -0.069
local terms energy: -778.289103
where:
bonds (distance) C4'-P energy: -165.095
bonds (distance) P-C4' energy: -173.128
flat angles C4'-P-C4' energy: -168.781
flat angles P-C4'-P energy: -111.977
tors. eta vs tors. theta energy: -159.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1914.369461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.369461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.369461 (E_RNA)
where:
Base-Base interactions energy: -1203.667
where: short stacking energy: -570.068
Base-Backbone interact. energy: -0.953
local terms energy: -709.750070
where:
bonds (distance) C4'-P energy: -156.278
bonds (distance) P-C4' energy: -155.033
flat angles C4'-P-C4' energy: -170.440
flat angles P-C4'-P energy: -116.867
tors. eta vs tors. theta energy: -111.131
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1880.681590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.681590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.681590 (E_RNA)
where:
Base-Base interactions energy: -1183.351
where: short stacking energy: -544.502
Base-Backbone interact. energy: -4.729
local terms energy: -692.602011
where:
bonds (distance) C4'-P energy: -154.080
bonds (distance) P-C4' energy: -166.204
flat angles C4'-P-C4' energy: -168.169
flat angles P-C4'-P energy: -96.016
tors. eta vs tors. theta energy: -108.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1338.421734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.421734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.421734 (E_RNA)
where:
Base-Base interactions energy: -778.349
where: short stacking energy: -391.399
Base-Backbone interact. energy: 2.119
local terms energy: -562.192396
where:
bonds (distance) C4'-P energy: -153.336
bonds (distance) P-C4' energy: -162.232
flat angles C4'-P-C4' energy: -110.225
flat angles P-C4'-P energy: -78.903
tors. eta vs tors. theta energy: -57.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -951.654058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.654058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.654058 (E_RNA)
where:
Base-Base interactions energy: -444.893
where: short stacking energy: -275.111
Base-Backbone interact. energy: 5.050
local terms energy: -511.811478
where:
bonds (distance) C4'-P energy: -148.126
bonds (distance) P-C4' energy: -131.918
flat angles C4'-P-C4' energy: -145.144
flat angles P-C4'-P energy: -83.545
tors. eta vs tors. theta energy: -3.078
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: 122
Temperature: 1.350000
Total energy: -680.127270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.127270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.127270 (E_RNA)
where:
Base-Base interactions energy: -234.405
where: short stacking energy: -203.519
Base-Backbone interact. energy: 2.887
local terms energy: -448.608682
where:
bonds (distance) C4'-P energy: -119.128
bonds (distance) P-C4' energy: -156.064
flat angles C4'-P-C4' energy: -136.908
flat angles P-C4'-P energy: -66.188
tors. eta vs tors. theta energy: 29.678
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: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2984.679170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.679170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.679170 (E_RNA)
where:
Base-Base interactions energy: -2011.068
where: short stacking energy: -880.753
Base-Backbone interact. energy: -7.311
local terms energy: -966.300229
where:
bonds (distance) C4'-P energy: -176.739
bonds (distance) P-C4' energy: -170.474
flat angles C4'-P-C4' energy: -220.652
flat angles P-C4'-P energy: -129.910
tors. eta vs tors. theta energy: -268.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2804.320340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.320340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.320340 (E_RNA)
where:
Base-Base interactions energy: -1918.726
where: short stacking energy: -786.927
Base-Backbone interact. energy: -2.271
local terms energy: -883.323384
where:
bonds (distance) C4'-P energy: -172.470
bonds (distance) P-C4' energy: -169.649
flat angles C4'-P-C4' energy: -192.126
flat angles P-C4'-P energy: -139.987
tors. eta vs tors. theta energy: -209.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2673.250859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.250859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.250859 (E_RNA)
where:
Base-Base interactions energy: -1783.050
where: short stacking energy: -797.590
Base-Backbone interact. energy: -1.827
local terms energy: -888.373624
where:
bonds (distance) C4'-P energy: -173.603
bonds (distance) P-C4' energy: -180.176
flat angles C4'-P-C4' energy: -184.800
flat angles P-C4'-P energy: -120.361
tors. eta vs tors. theta energy: -229.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2596.143173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.143173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.143173 (E_RNA)
where:
Base-Base interactions energy: -1753.160
where: short stacking energy: -726.889
Base-Backbone interact. energy: -2.985
local terms energy: -839.998232
where:
bonds (distance) C4'-P energy: -152.478
bonds (distance) P-C4' energy: -168.342
flat angles C4'-P-C4' energy: -197.910
flat angles P-C4'-P energy: -113.348
tors. eta vs tors. theta energy: -207.920
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: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2279.856300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.856300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.856300 (E_RNA)
where:
Base-Base interactions energy: -1506.370
where: short stacking energy: -689.642
Base-Backbone interact. energy: 0.747
local terms energy: -774.233482
where:
bonds (distance) C4'-P energy: -153.826
bonds (distance) P-C4' energy: -147.819
flat angles C4'-P-C4' energy: -179.465
flat angles P-C4'-P energy: -116.567
tors. eta vs tors. theta energy: -176.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1896.741543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.741543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.741543 (E_RNA)
where:
Base-Base interactions energy: -1246.397
where: short stacking energy: -570.797
Base-Backbone interact. energy: -4.910
local terms energy: -645.434714
where:
bonds (distance) C4'-P energy: -140.797
bonds (distance) P-C4' energy: -143.447
flat angles C4'-P-C4' energy: -139.795
flat angles P-C4'-P energy: -96.720
tors. eta vs tors. theta energy: -124.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1767.002430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.002430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.002430 (E_RNA)
where:
Base-Base interactions energy: -1117.985
where: short stacking energy: -515.496
Base-Backbone interact. energy: 1.074
local terms energy: -650.091940
where:
bonds (distance) C4'-P energy: -142.868
bonds (distance) P-C4' energy: -171.876
flat angles C4'-P-C4' energy: -147.737
flat angles P-C4'-P energy: -85.034
tors. eta vs tors. theta energy: -102.578
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: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1403.065581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.065581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.065581 (E_RNA)
where:
Base-Base interactions energy: -834.489
where: short stacking energy: -416.491
Base-Backbone interact. energy: 5.275
local terms energy: -573.852558
where:
bonds (distance) C4'-P energy: -121.092
bonds (distance) P-C4' energy: -144.754
flat angles C4'-P-C4' energy: -136.989
flat angles P-C4'-P energy: -108.277
tors. eta vs tors. theta energy: -62.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -941.386371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.386371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.386371 (E_RNA)
where:
Base-Base interactions energy: -463.274
where: short stacking energy: -270.813
Base-Backbone interact. energy: -1.121
local terms energy: -476.991051
where:
bonds (distance) C4'-P energy: -129.187
bonds (distance) P-C4' energy: -145.900
flat angles C4'-P-C4' energy: -118.025
flat angles P-C4'-P energy: -72.559
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -767.364474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.364474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.364474 (E_RNA)
where:
Base-Base interactions energy: -330.361
where: short stacking energy: -224.090
Base-Backbone interact. energy: -0.205
local terms energy: -436.798773
where:
bonds (distance) C4'-P energy: -126.608
bonds (distance) P-C4' energy: -141.398
flat angles C4'-P-C4' energy: -144.558
flat angles P-C4'-P energy: -60.583
tors. eta vs tors. theta energy: 36.349
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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2997.674440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2997.674440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.674440 (E_RNA)
where:
Base-Base interactions energy: -2020.777
where: short stacking energy: -881.085
Base-Backbone interact. energy: -3.160
local terms energy: -973.737119
where:
bonds (distance) C4'-P energy: -175.277
bonds (distance) P-C4' energy: -189.157
flat angles C4'-P-C4' energy: -207.548
flat angles P-C4'-P energy: -129.120
tors. eta vs tors. theta energy: -272.635
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: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2801.658099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.658099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.658099 (E_RNA)
where:
Base-Base interactions energy: -1912.411
where: short stacking energy: -753.883
Base-Backbone interact. energy: -2.700
local terms energy: -886.547502
where:
bonds (distance) C4'-P energy: -183.841
bonds (distance) P-C4' energy: -163.739
flat angles C4'-P-C4' energy: -192.643
flat angles P-C4'-P energy: -133.340
tors. eta vs tors. theta energy: -212.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2673.305747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.305747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.305747 (E_RNA)
where:
Base-Base interactions energy: -1812.563
where: short stacking energy: -793.550
Base-Backbone interact. energy: -3.512
local terms energy: -857.230721
where:
bonds (distance) C4'-P energy: -154.506
bonds (distance) P-C4' energy: -171.826
flat angles C4'-P-C4' energy: -202.031
flat angles P-C4'-P energy: -99.944
tors. eta vs tors. theta energy: -228.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2577.222044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.222044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.222044 (E_RNA)
where:
Base-Base interactions energy: -1753.288
where: short stacking energy: -707.917
Base-Backbone interact. energy: -3.219
local terms energy: -820.715421
where:
bonds (distance) C4'-P energy: -161.801
bonds (distance) P-C4' energy: -170.767
flat angles C4'-P-C4' energy: -185.869
flat angles P-C4'-P energy: -112.466
tors. eta vs tors. theta energy: -189.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2272.829915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.829915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.829915 (E_RNA)
where:
Base-Base interactions energy: -1528.470
where: short stacking energy: -669.459
Base-Backbone interact. energy: 3.652
local terms energy: -748.012654
where:
bonds (distance) C4'-P energy: -165.488
bonds (distance) P-C4' energy: -138.055
flat angles C4'-P-C4' energy: -163.148
flat angles P-C4'-P energy: -103.815
tors. eta vs tors. theta energy: -177.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1957.296664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.296664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.296664 (E_RNA)
where:
Base-Base interactions energy: -1239.213
where: short stacking energy: -564.584
Base-Backbone interact. energy: 10.641
local terms energy: -728.724697
where:
bonds (distance) C4'-P energy: -166.793
bonds (distance) P-C4' energy: -149.761
flat angles C4'-P-C4' energy: -169.383
flat angles P-C4'-P energy: -112.771
tors. eta vs tors. theta energy: -130.016
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: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1799.088853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.088853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.088853 (E_RNA)
where:
Base-Base interactions energy: -1115.314
where: short stacking energy: -508.327
Base-Backbone interact. energy: -2.261
local terms energy: -681.513249
where:
bonds (distance) C4'-P energy: -149.692
bonds (distance) P-C4' energy: -164.848
flat angles C4'-P-C4' energy: -159.496
flat angles P-C4'-P energy: -113.929
tors. eta vs tors. theta energy: -93.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1465.601611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.601611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.601611 (E_RNA)
where:
Base-Base interactions energy: -903.119
where: short stacking energy: -448.267
Base-Backbone interact. energy: -0.833
local terms energy: -561.649274
where:
bonds (distance) C4'-P energy: -137.588
bonds (distance) P-C4' energy: -157.867
flat angles C4'-P-C4' energy: -139.034
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -58.151
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: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -963.484492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.484492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.484492 (E_RNA)
where:
Base-Base interactions energy: -476.808
where: short stacking energy: -267.901
Base-Backbone interact. energy: -1.145
local terms energy: -485.531858
where:
bonds (distance) C4'-P energy: -138.340
bonds (distance) P-C4' energy: -145.133
flat angles C4'-P-C4' energy: -142.331
flat angles P-C4'-P energy: -74.108
tors. eta vs tors. theta energy: 14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -752.797035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.797035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.797035 (E_RNA)
where:
Base-Base interactions energy: -297.586
where: short stacking energy: -219.190
Base-Backbone interact. energy: 13.760
local terms energy: -468.971221
where:
bonds (distance) C4'-P energy: -151.452
bonds (distance) P-C4' energy: -151.212
flat angles C4'-P-C4' energy: -125.337
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: 17.089
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: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -3001.887586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.887586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.887586 (E_RNA)
where:
Base-Base interactions energy: -2028.512
where: short stacking energy: -858.767
Base-Backbone interact. energy: -3.874
local terms energy: -969.501631
where:
bonds (distance) C4'-P energy: -168.935
bonds (distance) P-C4' energy: -180.741
flat angles C4'-P-C4' energy: -207.338
flat angles P-C4'-P energy: -145.283
tors. eta vs tors. theta energy: -267.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2877.443627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.443627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.443627 (E_RNA)
where:
Base-Base interactions energy: -1996.903
where: short stacking energy: -812.947
Base-Backbone interact. energy: -3.016
local terms energy: -877.524257
where:
bonds (distance) C4'-P energy: -162.864
bonds (distance) P-C4' energy: -170.341
flat angles C4'-P-C4' energy: -185.127
flat angles P-C4'-P energy: -136.627
tors. eta vs tors. theta energy: -222.565
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2705.145149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.145149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.145149 (E_RNA)
where:
Base-Base interactions energy: -1839.507
where: short stacking energy: -788.392
Base-Backbone interact. energy: -2.767
local terms energy: -862.871585
where:
bonds (distance) C4'-P energy: -150.508
bonds (distance) P-C4' energy: -172.649
flat angles C4'-P-C4' energy: -189.178
flat angles P-C4'-P energy: -130.086
tors. eta vs tors. theta energy: -220.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2627.408580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.408580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.408580 (E_RNA)
where:
Base-Base interactions energy: -1756.817
where: short stacking energy: -765.785
Base-Backbone interact. energy: 0.093
local terms energy: -870.684418
where:
bonds (distance) C4'-P energy: -183.412
bonds (distance) P-C4' energy: -168.157
flat angles C4'-P-C4' energy: -182.777
flat angles P-C4'-P energy: -115.088
tors. eta vs tors. theta energy: -221.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2249.259426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.259426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.259426 (E_RNA)
where:
Base-Base interactions energy: -1474.307
where: short stacking energy: -624.068
Base-Backbone interact. energy: -3.784
local terms energy: -771.167507
where:
bonds (distance) C4'-P energy: -169.359
bonds (distance) P-C4' energy: -165.776
flat angles C4'-P-C4' energy: -168.309
flat angles P-C4'-P energy: -113.191
tors. eta vs tors. theta energy: -154.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2003.547510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.547510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.547510 (E_RNA)
where:
Base-Base interactions energy: -1275.834
where: short stacking energy: -581.903
Base-Backbone interact. energy: -1.761
local terms energy: -725.952849
where:
bonds (distance) C4'-P energy: -163.033
bonds (distance) P-C4' energy: -149.871
flat angles C4'-P-C4' energy: -178.623
flat angles P-C4'-P energy: -98.983
tors. eta vs tors. theta energy: -135.442
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: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1728.198681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.198681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.198681 (E_RNA)
where:
Base-Base interactions energy: -1066.778
where: short stacking energy: -500.852
Base-Backbone interact. energy: 1.469
local terms energy: -662.889128
where:
bonds (distance) C4'-P energy: -148.796
bonds (distance) P-C4' energy: -162.298
flat angles C4'-P-C4' energy: -161.604
flat angles P-C4'-P energy: -87.129
tors. eta vs tors. theta energy: -103.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1462.700984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.700984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.700984 (E_RNA)
where:
Base-Base interactions energy: -882.553
where: short stacking energy: -427.792
Base-Backbone interact. energy: 1.774
local terms energy: -581.921610
where:
bonds (distance) C4'-P energy: -131.921
bonds (distance) P-C4' energy: -157.403
flat angles C4'-P-C4' energy: -138.652
flat angles P-C4'-P energy: -88.442
tors. eta vs tors. theta energy: -65.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -968.187704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.187704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.187704 (E_RNA)
where:
Base-Base interactions energy: -484.629
where: short stacking energy: -270.766
Base-Backbone interact. energy: -3.448
local terms energy: -480.110321
where:
bonds (distance) C4'-P energy: -132.884
bonds (distance) P-C4' energy: -150.321
flat angles C4'-P-C4' energy: -116.202
flat angles P-C4'-P energy: -81.960
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -768.884273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.884273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.884273 (E_RNA)
where:
Base-Base interactions energy: -298.181
where: short stacking energy: -183.213
Base-Backbone interact. energy: -1.544
local terms energy: -469.159061
where:
bonds (distance) C4'-P energy: -146.383
bonds (distance) P-C4' energy: -155.195
flat angles C4'-P-C4' energy: -134.396
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: 35.037
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: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2980.764060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.764060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.764060 (E_RNA)
where:
Base-Base interactions energy: -2021.174
where: short stacking energy: -893.719
Base-Backbone interact. energy: -1.919
local terms energy: -957.670812
where:
bonds (distance) C4'-P energy: -170.264
bonds (distance) P-C4' energy: -174.177
flat angles C4'-P-C4' energy: -216.694
flat angles P-C4'-P energy: -132.856
tors. eta vs tors. theta energy: -263.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2847.945831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.945831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.945831 (E_RNA)
where:
Base-Base interactions energy: -1946.281
where: short stacking energy: -746.485
Base-Backbone interact. energy: 5.276
local terms energy: -906.940018
where:
bonds (distance) C4'-P energy: -177.498
bonds (distance) P-C4' energy: -189.153
flat angles C4'-P-C4' energy: -207.199
flat angles P-C4'-P energy: -131.325
tors. eta vs tors. theta energy: -201.765
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: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2701.471349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.471349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.471349 (E_RNA)
where:
Base-Base interactions energy: -1851.635
where: short stacking energy: -796.602
Base-Backbone interact. energy: -3.033
local terms energy: -846.802976
where:
bonds (distance) C4'-P energy: -163.299
bonds (distance) P-C4' energy: -173.569
flat angles C4'-P-C4' energy: -189.314
flat angles P-C4'-P energy: -106.175
tors. eta vs tors. theta energy: -214.446
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: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2637.931682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.931682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.931682 (E_RNA)
where:
Base-Base interactions energy: -1762.852
where: short stacking energy: -759.729
Base-Backbone interact. energy: -3.140
local terms energy: -871.939578
where:
bonds (distance) C4'-P energy: -163.674
bonds (distance) P-C4' energy: -174.923
flat angles C4'-P-C4' energy: -194.862
flat angles P-C4'-P energy: -113.427
tors. eta vs tors. theta energy: -225.054
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: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2276.646553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.646553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.646553 (E_RNA)
where:
Base-Base interactions energy: -1499.672
where: short stacking energy: -665.684
Base-Backbone interact. energy: -3.643
local terms energy: -773.331539
where:
bonds (distance) C4'-P energy: -157.592
bonds (distance) P-C4' energy: -162.247
flat angles C4'-P-C4' energy: -172.253
flat angles P-C4'-P energy: -113.880
tors. eta vs tors. theta energy: -167.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1939.626539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.626539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.626539 (E_RNA)
where:
Base-Base interactions energy: -1217.551
where: short stacking energy: -536.115
Base-Backbone interact. energy: -2.512
local terms energy: -719.563303
where:
bonds (distance) C4'-P energy: -158.172
bonds (distance) P-C4' energy: -161.264
flat angles C4'-P-C4' energy: -161.931
flat angles P-C4'-P energy: -111.364
tors. eta vs tors. theta energy: -126.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1728.397836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.397836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.397836 (E_RNA)
where:
Base-Base interactions energy: -1100.422
where: short stacking energy: -514.667
Base-Backbone interact. energy: -2.921
local terms energy: -625.054789
where:
bonds (distance) C4'-P energy: -149.751
bonds (distance) P-C4' energy: -136.531
flat angles C4'-P-C4' energy: -153.336
flat angles P-C4'-P energy: -89.449
tors. eta vs tors. theta energy: -95.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1456.079004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.079004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.079004 (E_RNA)
where:
Base-Base interactions energy: -852.815
where: short stacking energy: -415.709
Base-Backbone interact. energy: 0.359
local terms energy: -603.623048
where:
bonds (distance) C4'-P energy: -149.587
bonds (distance) P-C4' energy: -155.693
flat angles C4'-P-C4' energy: -149.209
flat angles P-C4'-P energy: -72.290
tors. eta vs tors. theta energy: -76.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -935.021116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.021116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.021116 (E_RNA)
where:
Base-Base interactions energy: -428.942
where: short stacking energy: -264.911
Base-Backbone interact. energy: -2.119
local terms energy: -503.959184
where:
bonds (distance) C4'-P energy: -142.702
bonds (distance) P-C4' energy: -171.139
flat angles C4'-P-C4' energy: -117.137
flat angles P-C4'-P energy: -91.515
tors. eta vs tors. theta energy: 18.534
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: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -756.492283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.492283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.492283 (E_RNA)
where:
Base-Base interactions energy: -287.695
where: short stacking energy: -190.173
Base-Backbone interact. energy: 2.411
local terms energy: -471.208067
where:
bonds (distance) C4'-P energy: -134.049
bonds (distance) P-C4' energy: -161.046
flat angles C4'-P-C4' energy: -107.210
flat angles P-C4'-P energy: -81.284
tors. eta vs tors. theta energy: 12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2981.121445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.121445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.121445 (E_RNA)
where:
Base-Base interactions energy: -2031.420
where: short stacking energy: -867.898
Base-Backbone interact. energy: -6.858
local terms energy: -942.844005
where:
bonds (distance) C4'-P energy: -174.477
bonds (distance) P-C4' energy: -171.663
flat angles C4'-P-C4' energy: -196.969
flat angles P-C4'-P energy: -144.725
tors. eta vs tors. theta energy: -255.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2879.459972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.459972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.459972 (E_RNA)
where:
Base-Base interactions energy: -1995.792
where: short stacking energy: -776.134
Base-Backbone interact. energy: -1.953
local terms energy: -881.715489
where:
bonds (distance) C4'-P energy: -159.077
bonds (distance) P-C4' energy: -182.580
flat angles C4'-P-C4' energy: -197.622
flat angles P-C4'-P energy: -124.059
tors. eta vs tors. theta energy: -218.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2681.444900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.444900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.444900 (E_RNA)
where:
Base-Base interactions energy: -1825.133
where: short stacking energy: -770.204
Base-Backbone interact. energy: -0.903
local terms energy: -855.408918
where:
bonds (distance) C4'-P energy: -158.240
bonds (distance) P-C4' energy: -165.014
flat angles C4'-P-C4' energy: -195.234
flat angles P-C4'-P energy: -122.683
tors. eta vs tors. theta energy: -214.238
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: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2596.928393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.928393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.928393 (E_RNA)
where:
Base-Base interactions energy: -1751.401
where: short stacking energy: -762.198
Base-Backbone interact. energy: 6.349
local terms energy: -851.876680
where:
bonds (distance) C4'-P energy: -138.279
bonds (distance) P-C4' energy: -178.619
flat angles C4'-P-C4' energy: -207.278
flat angles P-C4'-P energy: -113.236
tors. eta vs tors. theta energy: -214.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2268.481683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.481683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.481683 (E_RNA)
where:
Base-Base interactions energy: -1496.455
where: short stacking energy: -681.227
Base-Backbone interact. energy: -1.383
local terms energy: -770.643212
where:
bonds (distance) C4'-P energy: -155.014
bonds (distance) P-C4' energy: -156.122
flat angles C4'-P-C4' energy: -177.648
flat angles P-C4'-P energy: -115.083
tors. eta vs tors. theta energy: -166.776
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: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2007.810979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.810979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.810979 (E_RNA)
where:
Base-Base interactions energy: -1299.936
where: short stacking energy: -579.187
Base-Backbone interact. energy: 0.382
local terms energy: -708.257356
where:
bonds (distance) C4'-P energy: -172.882
bonds (distance) P-C4' energy: -142.519
flat angles C4'-P-C4' energy: -160.669
flat angles P-C4'-P energy: -92.772
tors. eta vs tors. theta energy: -139.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1723.389474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.389474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.389474 (E_RNA)
where:
Base-Base interactions energy: -1070.698
where: short stacking energy: -472.391
Base-Backbone interact. energy: 1.774
local terms energy: -654.465380
where:
bonds (distance) C4'-P energy: -145.437
bonds (distance) P-C4' energy: -158.838
flat angles C4'-P-C4' energy: -161.609
flat angles P-C4'-P energy: -101.217
tors. eta vs tors. theta energy: -87.365
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: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1398.885364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.885364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.885364 (E_RNA)
where:
Base-Base interactions energy: -792.906
where: short stacking energy: -353.431
Base-Backbone interact. energy: -0.282
local terms energy: -605.697725
where:
bonds (distance) C4'-P energy: -136.591
bonds (distance) P-C4' energy: -164.628
flat angles C4'-P-C4' energy: -156.357
flat angles P-C4'-P energy: -100.749
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -923.568297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.568297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.568297 (E_RNA)
where:
Base-Base interactions energy: -412.539
where: short stacking energy: -253.751
Base-Backbone interact. energy: -4.879
local terms energy: -506.149418
where:
bonds (distance) C4'-P energy: -146.658
bonds (distance) P-C4' energy: -135.755
flat angles C4'-P-C4' energy: -135.927
flat angles P-C4'-P energy: -81.547
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -799.662855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.662855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.662855 (E_RNA)
where:
Base-Base interactions energy: -339.732
where: short stacking energy: -198.837
Base-Backbone interact. energy: 1.870
local terms energy: -461.800184
where:
bonds (distance) C4'-P energy: -131.449
bonds (distance) P-C4' energy: -144.403
flat angles C4'-P-C4' energy: -140.606
flat angles P-C4'-P energy: -58.068
tors. eta vs tors. theta energy: 12.726
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: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2998.594988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.594988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.594988 (E_RNA)
where:
Base-Base interactions energy: -2036.769
where: short stacking energy: -872.457
Base-Backbone interact. energy: -7.141
local terms energy: -954.685561
where:
bonds (distance) C4'-P energy: -177.916
bonds (distance) P-C4' energy: -185.710
flat angles C4'-P-C4' energy: -201.816
flat angles P-C4'-P energy: -138.306
tors. eta vs tors. theta energy: -250.937
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: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2843.010922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.010922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.010922 (E_RNA)
where:
Base-Base interactions energy: -1945.581
where: short stacking energy: -806.468
Base-Backbone interact. energy: -0.646
local terms energy: -896.784601
where:
bonds (distance) C4'-P energy: -184.919
bonds (distance) P-C4' energy: -181.661
flat angles C4'-P-C4' energy: -178.493
flat angles P-C4'-P energy: -128.678
tors. eta vs tors. theta energy: -223.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2683.590061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.590061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.590061 (E_RNA)
where:
Base-Base interactions energy: -1815.496
where: short stacking energy: -794.491
Base-Backbone interact. energy: 0.747
local terms energy: -868.840977
where:
bonds (distance) C4'-P energy: -162.720
bonds (distance) P-C4' energy: -171.955
flat angles C4'-P-C4' energy: -189.792
flat angles P-C4'-P energy: -121.987
tors. eta vs tors. theta energy: -222.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2578.493354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.493354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.493354 (E_RNA)
where:
Base-Base interactions energy: -1743.446
where: short stacking energy: -761.872
Base-Backbone interact. energy: 0.591
local terms energy: -835.637563
where:
bonds (distance) C4'-P energy: -166.142
bonds (distance) P-C4' energy: -175.584
flat angles C4'-P-C4' energy: -155.337
flat angles P-C4'-P energy: -116.711
tors. eta vs tors. theta energy: -221.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2298.404968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.404968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.404968 (E_RNA)
where:
Base-Base interactions energy: -1485.587
where: short stacking energy: -684.813
Base-Backbone interact. energy: -4.770
local terms energy: -808.047351
where:
bonds (distance) C4'-P energy: -144.270
bonds (distance) P-C4' energy: -177.665
flat angles C4'-P-C4' energy: -194.901
flat angles P-C4'-P energy: -120.166
tors. eta vs tors. theta energy: -171.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2133.847163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.847163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.847163 (E_RNA)
where:
Base-Base interactions energy: -1405.044
where: short stacking energy: -618.664
Base-Backbone interact. energy: 0.789
local terms energy: -729.592053
where:
bonds (distance) C4'-P energy: -156.966
bonds (distance) P-C4' energy: -166.387
flat angles C4'-P-C4' energy: -162.498
flat angles P-C4'-P energy: -94.544
tors. eta vs tors. theta energy: -149.197
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: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1688.978262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.978262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.978262 (E_RNA)
where:
Base-Base interactions energy: -1039.944
where: short stacking energy: -504.096
Base-Backbone interact. energy: -1.415
local terms energy: -647.619212
where:
bonds (distance) C4'-P energy: -133.734
bonds (distance) P-C4' energy: -166.781
flat angles C4'-P-C4' energy: -147.651
flat angles P-C4'-P energy: -99.120
tors. eta vs tors. theta energy: -100.334
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: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1258.874490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.874490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.874490 (E_RNA)
where:
Base-Base interactions energy: -691.055
where: short stacking energy: -356.454
Base-Backbone interact. energy: -2.072
local terms energy: -565.747483
where:
bonds (distance) C4'-P energy: -160.471
bonds (distance) P-C4' energy: -156.847
flat angles C4'-P-C4' energy: -133.257
flat angles P-C4'-P energy: -84.748
tors. eta vs tors. theta energy: -30.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -954.241766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.241766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.241766 (E_RNA)
where:
Base-Base interactions energy: -456.846
where: short stacking energy: -268.576
Base-Backbone interact. energy: -1.100
local terms energy: -496.295831
where:
bonds (distance) C4'-P energy: -139.916
bonds (distance) P-C4' energy: -149.299
flat angles C4'-P-C4' energy: -135.597
flat angles P-C4'-P energy: -78.709
tors. eta vs tors. theta energy: 7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -774.737842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.737842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.737842 (E_RNA)
where:
Base-Base interactions energy: -323.347
where: short stacking energy: -191.001
Base-Backbone interact. energy: 3.713
local terms energy: -455.103967
where:
bonds (distance) C4'-P energy: -123.005
bonds (distance) P-C4' energy: -133.657
flat angles C4'-P-C4' energy: -133.445
flat angles P-C4'-P energy: -85.356
tors. eta vs tors. theta energy: 20.359
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: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2987.694365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.694365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.694365 (E_RNA)
where:
Base-Base interactions energy: -2011.256
where: short stacking energy: -868.229
Base-Backbone interact. energy: -3.443
local terms energy: -972.995153
where:
bonds (distance) C4'-P energy: -175.794
bonds (distance) P-C4' energy: -179.449
flat angles C4'-P-C4' energy: -207.065
flat angles P-C4'-P energy: -153.157
tors. eta vs tors. theta energy: -257.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2832.465359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.465359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.465359 (E_RNA)
where:
Base-Base interactions energy: -1950.349
where: short stacking energy: -828.046
Base-Backbone interact. energy: -2.368
local terms energy: -879.748031
where:
bonds (distance) C4'-P energy: -171.096
bonds (distance) P-C4' energy: -160.758
flat angles C4'-P-C4' energy: -180.850
flat angles P-C4'-P energy: -137.728
tors. eta vs tors. theta energy: -229.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2671.906690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.906690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.906690 (E_RNA)
where:
Base-Base interactions energy: -1804.868
where: short stacking energy: -789.579
Base-Backbone interact. energy: -3.074
local terms energy: -863.964058
where:
bonds (distance) C4'-P energy: -164.923
bonds (distance) P-C4' energy: -170.650
flat angles C4'-P-C4' energy: -184.284
flat angles P-C4'-P energy: -119.140
tors. eta vs tors. theta energy: -224.967
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2575.801830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.801830 (E_RNA)
where:
Base-Base interactions energy: -1717.516
where: short stacking energy: -764.096
Base-Backbone interact. energy: -3.178
local terms energy: -855.108031
where:
bonds (distance) C4'-P energy: -166.788
bonds (distance) P-C4' energy: -163.788
flat angles C4'-P-C4' energy: -187.622
flat angles P-C4'-P energy: -100.467
tors. eta vs tors. theta energy: -236.443
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: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2283.977233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.977233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.977233 (E_RNA)
where:
Base-Base interactions energy: -1474.796
where: short stacking energy: -665.538
Base-Backbone interact. energy: 1.299
local terms energy: -810.480570
where:
bonds (distance) C4'-P energy: -170.231
bonds (distance) P-C4' energy: -173.643
flat angles C4'-P-C4' energy: -175.607
flat angles P-C4'-P energy: -117.929
tors. eta vs tors. theta energy: -173.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2043.154713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.154713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.154713 (E_RNA)
where:
Base-Base interactions energy: -1326.625
where: short stacking energy: -607.173
Base-Backbone interact. energy: -2.768
local terms energy: -713.762045
where:
bonds (distance) C4'-P energy: -164.300
bonds (distance) P-C4' energy: -144.786
flat angles C4'-P-C4' energy: -156.523
flat angles P-C4'-P energy: -107.939
tors. eta vs tors. theta energy: -140.213
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: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1623.672275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.672275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.672275 (E_RNA)
where:
Base-Base interactions energy: -967.180
where: short stacking energy: -479.257
Base-Backbone interact. energy: 1.300
local terms energy: -657.792646
where:
bonds (distance) C4'-P energy: -146.072
bonds (distance) P-C4' energy: -175.166
flat angles C4'-P-C4' energy: -145.188
flat angles P-C4'-P energy: -102.145
tors. eta vs tors. theta energy: -89.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1275.089425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.089425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.089425 (E_RNA)
where:
Base-Base interactions energy: -730.985
where: short stacking energy: -332.721
Base-Backbone interact. energy: -1.194
local terms energy: -542.910546
where:
bonds (distance) C4'-P energy: -163.207
bonds (distance) P-C4' energy: -150.141
flat angles C4'-P-C4' energy: -142.642
flat angles P-C4'-P energy: -58.248
tors. eta vs tors. theta energy: -28.672
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: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -974.244377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.244377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.244377 (E_RNA)
where:
Base-Base interactions energy: -491.571
where: short stacking energy: -261.649
Base-Backbone interact. energy: -4.570
local terms energy: -478.103217
where:
bonds (distance) C4'-P energy: -147.647
bonds (distance) P-C4' energy: -155.131
flat angles C4'-P-C4' energy: -131.758
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: 16.834
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: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -783.036143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.036143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.036143 (E_RNA)
where:
Base-Base interactions energy: -350.126
where: short stacking energy: -219.905
Base-Backbone interact. energy: 5.389
local terms energy: -438.299003
where:
bonds (distance) C4'-P energy: -119.164
bonds (distance) P-C4' energy: -139.970
flat angles C4'-P-C4' energy: -129.674
flat angles P-C4'-P energy: -70.934
tors. eta vs tors. theta energy: 21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2998.341705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.341705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.341705 (E_RNA)
where:
Base-Base interactions energy: -2020.415
where: short stacking energy: -863.940
Base-Backbone interact. energy: -3.728
local terms energy: -974.199038
where:
bonds (distance) C4'-P energy: -195.579
bonds (distance) P-C4' energy: -176.582
flat angles C4'-P-C4' energy: -202.211
flat angles P-C4'-P energy: -143.072
tors. eta vs tors. theta energy: -256.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2799.228233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.228233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.228233 (E_RNA)
where:
Base-Base interactions energy: -1912.095
where: short stacking energy: -803.909
Base-Backbone interact. energy: -1.985
local terms energy: -885.147930
where:
bonds (distance) C4'-P energy: -156.580
bonds (distance) P-C4' energy: -185.086
flat angles C4'-P-C4' energy: -195.989
flat angles P-C4'-P energy: -122.644
tors. eta vs tors. theta energy: -224.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2681.324318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.324318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.324318 (E_RNA)
where:
Base-Base interactions energy: -1800.391
where: short stacking energy: -749.311
Base-Backbone interact. energy: 1.081
local terms energy: -882.014920
where:
bonds (distance) C4'-P energy: -185.439
bonds (distance) P-C4' energy: -188.056
flat angles C4'-P-C4' energy: -174.873
flat angles P-C4'-P energy: -118.299
tors. eta vs tors. theta energy: -215.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2586.507962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.507962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.507962 (E_RNA)
where:
Base-Base interactions energy: -1738.693
where: short stacking energy: -763.352
Base-Backbone interact. energy: -3.715
local terms energy: -844.100691
where:
bonds (distance) C4'-P energy: -151.715
bonds (distance) P-C4' energy: -159.507
flat angles C4'-P-C4' energy: -184.503
flat angles P-C4'-P energy: -116.755
tors. eta vs tors. theta energy: -231.622
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: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2286.790944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.790944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.790944 (E_RNA)
where:
Base-Base interactions energy: -1500.284
where: short stacking energy: -652.507
Base-Backbone interact. energy: -3.592
local terms energy: -782.914496
where:
bonds (distance) C4'-P energy: -145.126
bonds (distance) P-C4' energy: -159.147
flat angles C4'-P-C4' energy: -183.213
flat angles P-C4'-P energy: -115.132
tors. eta vs tors. theta energy: -180.296
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: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2022.736293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.736293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.736293 (E_RNA)
where:
Base-Base interactions energy: -1337.595
where: short stacking energy: -591.276
Base-Backbone interact. energy: -1.230
local terms energy: -683.911140
where:
bonds (distance) C4'-P energy: -140.093
bonds (distance) P-C4' energy: -168.780
flat angles C4'-P-C4' energy: -152.677
flat angles P-C4'-P energy: -105.779
tors. eta vs tors. theta energy: -116.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1667.380058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.380058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.380058 (E_RNA)
where:
Base-Base interactions energy: -1017.200
where: short stacking energy: -487.027
Base-Backbone interact. energy: -1.265
local terms energy: -648.914723
where:
bonds (distance) C4'-P energy: -145.048
bonds (distance) P-C4' energy: -163.754
flat angles C4'-P-C4' energy: -141.287
flat angles P-C4'-P energy: -82.890
tors. eta vs tors. theta energy: -115.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1379.589801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.589801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.589801 (E_RNA)
where:
Base-Base interactions energy: -821.909
where: short stacking energy: -409.471
Base-Backbone interact. energy: 14.060
local terms energy: -571.740459
where:
bonds (distance) C4'-P energy: -133.226
bonds (distance) P-C4' energy: -156.717
flat angles C4'-P-C4' energy: -146.046
flat angles P-C4'-P energy: -86.894
tors. eta vs tors. theta energy: -48.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -974.903974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.903974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.903974 (E_RNA)
where:
Base-Base interactions energy: -479.507
where: short stacking energy: -284.194
Base-Backbone interact. energy: -0.864
local terms energy: -494.533016
where:
bonds (distance) C4'-P energy: -139.599
bonds (distance) P-C4' energy: -144.531
flat angles C4'-P-C4' energy: -110.427
flat angles P-C4'-P energy: -100.893
tors. eta vs tors. theta energy: 0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -749.451265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.451265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.451265 (E_RNA)
where:
Base-Base interactions energy: -300.310
where: short stacking energy: -208.805
Base-Backbone interact. energy: 5.700
local terms energy: -454.840714
where:
bonds (distance) C4'-P energy: -123.506
bonds (distance) P-C4' energy: -152.848
flat angles C4'-P-C4' energy: -155.350
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: 22.145
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: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2982.748919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.748919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.748919 (E_RNA)
where:
Base-Base interactions energy: -2005.787
where: short stacking energy: -894.429
Base-Backbone interact. energy: -4.081
local terms energy: -972.881522
where:
bonds (distance) C4'-P energy: -181.243
bonds (distance) P-C4' energy: -172.267
flat angles C4'-P-C4' energy: -215.834
flat angles P-C4'-P energy: -141.067
tors. eta vs tors. theta energy: -262.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2818.317583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.317583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.317583 (E_RNA)
where:
Base-Base interactions energy: -1939.971
where: short stacking energy: -797.795
Base-Backbone interact. energy: 5.348
local terms energy: -883.695282
where:
bonds (distance) C4'-P energy: -163.128
bonds (distance) P-C4' energy: -174.289
flat angles C4'-P-C4' energy: -197.596
flat angles P-C4'-P energy: -129.076
tors. eta vs tors. theta energy: -219.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2686.217828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.217828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.217828 (E_RNA)
where:
Base-Base interactions energy: -1814.778
where: short stacking energy: -766.468
Base-Backbone interact. energy: -2.911
local terms energy: -868.528545
where:
bonds (distance) C4'-P energy: -179.056
bonds (distance) P-C4' energy: -171.672
flat angles C4'-P-C4' energy: -171.148
flat angles P-C4'-P energy: -122.326
tors. eta vs tors. theta energy: -224.327
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2631.799897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.799897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.799897 (E_RNA)
where:
Base-Base interactions energy: -1769.053
where: short stacking energy: -783.477
Base-Backbone interact. energy: -2.249
local terms energy: -860.498633
where:
bonds (distance) C4'-P energy: -154.315
bonds (distance) P-C4' energy: -157.593
flat angles C4'-P-C4' energy: -190.050
flat angles P-C4'-P energy: -121.465
tors. eta vs tors. theta energy: -237.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2317.303451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.303451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.303451 (E_RNA)
where:
Base-Base interactions energy: -1555.504
where: short stacking energy: -699.155
Base-Backbone interact. energy: 1.455
local terms energy: -763.253824
where:
bonds (distance) C4'-P energy: -145.393
bonds (distance) P-C4' energy: -157.873
flat angles C4'-P-C4' energy: -179.167
flat angles P-C4'-P energy: -101.860
tors. eta vs tors. theta energy: -178.961
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2077.321583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.321583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.321583 (E_RNA)
where:
Base-Base interactions energy: -1336.638
where: short stacking energy: -609.780
Base-Backbone interact. energy: -3.148
local terms energy: -737.535577
where:
bonds (distance) C4'-P energy: -162.199
bonds (distance) P-C4' energy: -148.797
flat angles C4'-P-C4' energy: -175.182
flat angles P-C4'-P energy: -104.473
tors. eta vs tors. theta energy: -146.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1572.640305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.640305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.640305 (E_RNA)
where:
Base-Base interactions energy: -922.500
where: short stacking energy: -466.056
Base-Backbone interact. energy: -3.394
local terms energy: -646.746782
where:
bonds (distance) C4'-P energy: -166.924
bonds (distance) P-C4' energy: -160.357
flat angles C4'-P-C4' energy: -157.703
flat angles P-C4'-P energy: -78.125
tors. eta vs tors. theta energy: -83.638
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: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1392.495937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.495937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.495937 (E_RNA)
where:
Base-Base interactions energy: -846.750
where: short stacking energy: -389.462
Base-Backbone interact. energy: 2.057
local terms energy: -547.803312
where:
bonds (distance) C4'-P energy: -139.329
bonds (distance) P-C4' energy: -137.596
flat angles C4'-P-C4' energy: -137.392
flat angles P-C4'-P energy: -89.805
tors. eta vs tors. theta energy: -43.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -968.647431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.647431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.647431 (E_RNA)
where:
Base-Base interactions energy: -472.136
where: short stacking energy: -274.898
Base-Backbone interact. energy: -3.160
local terms energy: -493.351393
where:
bonds (distance) C4'-P energy: -156.226
bonds (distance) P-C4' energy: -165.611
flat angles C4'-P-C4' energy: -127.812
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: 2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -711.730374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.730374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.730374 (E_RNA)
where:
Base-Base interactions energy: -283.686
where: short stacking energy: -202.431
Base-Backbone interact. energy: -1.832
local terms energy: -426.213001
where:
bonds (distance) C4'-P energy: -153.492
bonds (distance) P-C4' energy: -116.650
flat angles C4'-P-C4' energy: -106.418
flat angles P-C4'-P energy: -72.633
tors. eta vs tors. theta energy: 22.980
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: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -3012.446893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.446893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.446893 (E_RNA)
where:
Base-Base interactions energy: -2052.636
where: short stacking energy: -864.421
Base-Backbone interact. energy: -7.368
local terms energy: -952.443111
where:
bonds (distance) C4'-P energy: -182.607
bonds (distance) P-C4' energy: -170.935
flat angles C4'-P-C4' energy: -200.459
flat angles P-C4'-P energy: -139.437
tors. eta vs tors. theta energy: -259.005
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: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2832.862876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.862876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.862876 (E_RNA)
where:
Base-Base interactions energy: -1940.235
where: short stacking energy: -791.410
Base-Backbone interact. energy: -3.742
local terms energy: -888.884940
where:
bonds (distance) C4'-P energy: -178.897
bonds (distance) P-C4' energy: -173.372
flat angles C4'-P-C4' energy: -190.928
flat angles P-C4'-P energy: -117.622
tors. eta vs tors. theta energy: -228.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2675.642188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.642188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.642188 (E_RNA)
where:
Base-Base interactions energy: -1807.855
where: short stacking energy: -740.705
Base-Backbone interact. energy: -2.560
local terms energy: -865.227223
where:
bonds (distance) C4'-P energy: -167.357
bonds (distance) P-C4' energy: -174.694
flat angles C4'-P-C4' energy: -179.460
flat angles P-C4'-P energy: -128.803
tors. eta vs tors. theta energy: -214.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2609.457432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.457432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.457432 (E_RNA)
where:
Base-Base interactions energy: -1750.267
where: short stacking energy: -774.026
Base-Backbone interact. energy: -0.299
local terms energy: -858.892193
where:
bonds (distance) C4'-P energy: -160.364
bonds (distance) P-C4' energy: -172.249
flat angles C4'-P-C4' energy: -191.528
flat angles P-C4'-P energy: -104.860
tors. eta vs tors. theta energy: -229.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2315.775289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.775289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.775289 (E_RNA)
where:
Base-Base interactions energy: -1527.627
where: short stacking energy: -662.106
Base-Backbone interact. energy: -1.291
local terms energy: -786.857350
where:
bonds (distance) C4'-P energy: -155.470
bonds (distance) P-C4' energy: -161.274
flat angles C4'-P-C4' energy: -168.114
flat angles P-C4'-P energy: -114.032
tors. eta vs tors. theta energy: -187.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2060.847914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.847914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.847914 (E_RNA)
where:
Base-Base interactions energy: -1366.260
where: short stacking energy: -641.118
Base-Backbone interact. energy: -6.328
local terms energy: -688.259800
where:
bonds (distance) C4'-P energy: -130.331
bonds (distance) P-C4' energy: -150.072
flat angles C4'-P-C4' energy: -172.774
flat angles P-C4'-P energy: -92.285
tors. eta vs tors. theta energy: -142.797
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: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1616.280496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.280496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.280496 (E_RNA)
where:
Base-Base interactions energy: -959.473
where: short stacking energy: -440.034
Base-Backbone interact. energy: 9.209
local terms energy: -666.016820
where:
bonds (distance) C4'-P energy: -173.126
bonds (distance) P-C4' energy: -170.819
flat angles C4'-P-C4' energy: -148.410
flat angles P-C4'-P energy: -94.585
tors. eta vs tors. theta energy: -79.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1381.080818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.080818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.080818 (E_RNA)
where:
Base-Base interactions energy: -789.561
where: short stacking energy: -377.113
Base-Backbone interact. energy: -1.468
local terms energy: -590.052403
where:
bonds (distance) C4'-P energy: -156.527
bonds (distance) P-C4' energy: -144.779
flat angles C4'-P-C4' energy: -139.926
flat angles P-C4'-P energy: -90.098
tors. eta vs tors. theta energy: -58.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1009.735955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.735955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.735955 (E_RNA)
where:
Base-Base interactions energy: -475.216
where: short stacking energy: -283.865
Base-Backbone interact. energy: 6.476
local terms energy: -540.996733
where:
bonds (distance) C4'-P energy: -128.794
bonds (distance) P-C4' energy: -160.407
flat angles C4'-P-C4' energy: -151.636
flat angles P-C4'-P energy: -80.831
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -693.819988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.819988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.819988 (E_RNA)
where:
Base-Base interactions energy: -231.032
where: short stacking energy: -181.626
Base-Backbone interact. energy: 0.469
local terms energy: -463.256926
where:
bonds (distance) C4'-P energy: -156.927
bonds (distance) P-C4' energy: -161.957
flat angles C4'-P-C4' energy: -109.507
flat angles P-C4'-P energy: -67.670
tors. eta vs tors. theta energy: 32.804
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: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -3006.559709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.559709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.559709 (E_RNA)
where:
Base-Base interactions energy: -2023.219
where: short stacking energy: -827.676
Base-Backbone interact. energy: -6.021
local terms energy: -977.320490
where:
bonds (distance) C4'-P energy: -197.129
bonds (distance) P-C4' energy: -190.060
flat angles C4'-P-C4' energy: -204.473
flat angles P-C4'-P energy: -136.785
tors. eta vs tors. theta energy: -248.874
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: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2773.381694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.381694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.381694 (E_RNA)
where:
Base-Base interactions energy: -1870.205
where: short stacking energy: -797.916
Base-Backbone interact. energy: -4.707
local terms energy: -898.469960
where:
bonds (distance) C4'-P energy: -170.894
bonds (distance) P-C4' energy: -180.525
flat angles C4'-P-C4' energy: -187.705
flat angles P-C4'-P energy: -135.026
tors. eta vs tors. theta energy: -224.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2750.499598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.499598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.499598 (E_RNA)
where:
Base-Base interactions energy: -1908.417
where: short stacking energy: -759.304
Base-Backbone interact. energy: 0.769
local terms energy: -842.852178
where:
bonds (distance) C4'-P energy: -163.939
bonds (distance) P-C4' energy: -159.079
flat angles C4'-P-C4' energy: -189.693
flat angles P-C4'-P energy: -121.903
tors. eta vs tors. theta energy: -208.238
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: 133
Temperature: 1.050000
Total energy: -2624.958200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.958200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.958200 (E_RNA)
where:
Base-Base interactions energy: -1736.767
where: short stacking energy: -767.316
Base-Backbone interact. energy: -4.667
local terms energy: -883.523984
where:
bonds (distance) C4'-P energy: -163.957
bonds (distance) P-C4' energy: -178.091
flat angles C4'-P-C4' energy: -192.803
flat angles P-C4'-P energy: -119.596
tors. eta vs tors. theta energy: -229.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2281.915150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.915150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.915150 (E_RNA)
where:
Base-Base interactions energy: -1495.483
where: short stacking energy: -644.438
Base-Backbone interact. energy: -3.359
local terms energy: -783.073785
where:
bonds (distance) C4'-P energy: -140.755
bonds (distance) P-C4' energy: -178.920
flat angles C4'-P-C4' energy: -182.484
flat angles P-C4'-P energy: -118.846
tors. eta vs tors. theta energy: -162.069
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2031.046503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.046503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.046503 (E_RNA)
where:
Base-Base interactions energy: -1333.551
where: short stacking energy: -568.804
Base-Backbone interact. energy: -2.374
local terms energy: -695.120879
where:
bonds (distance) C4'-P energy: -156.418
bonds (distance) P-C4' energy: -155.233
flat angles C4'-P-C4' energy: -159.865
flat angles P-C4'-P energy: -90.280
tors. eta vs tors. theta energy: -133.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1677.335517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.335517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.335517 (E_RNA)
where:
Base-Base interactions energy: -1075.061
where: short stacking energy: -477.053
Base-Backbone interact. energy: 2.553
local terms energy: -604.827543
where:
bonds (distance) C4'-P energy: -155.218
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -129.682
flat angles P-C4'-P energy: -89.290
tors. eta vs tors. theta energy: -75.834
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: 133
Temperature: 1.250000
Total energy: -1312.695849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.695849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.695849 (E_RNA)
where:
Base-Base interactions energy: -733.651
where: short stacking energy: -329.809
Base-Backbone interact. energy: 2.668
local terms energy: -581.712048
where:
bonds (distance) C4'-P energy: -143.539
bonds (distance) P-C4' energy: -178.740
flat angles C4'-P-C4' energy: -151.240
flat angles P-C4'-P energy: -86.432
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -980.107240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.107240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.107240 (E_RNA)
where:
Base-Base interactions energy: -509.069
where: short stacking energy: -296.456
Base-Backbone interact. energy: 2.958
local terms energy: -473.996218
where:
bonds (distance) C4'-P energy: -129.945
bonds (distance) P-C4' energy: -161.516
flat angles C4'-P-C4' energy: -111.600
flat angles P-C4'-P energy: -63.491
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -677.201959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.201959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.201959 (E_RNA)
where:
Base-Base interactions energy: -282.677
where: short stacking energy: -177.371
Base-Backbone interact. energy: 3.436
local terms energy: -397.961018
where:
bonds (distance) C4'-P energy: -138.340
bonds (distance) P-C4' energy: -126.164
flat angles C4'-P-C4' energy: -124.538
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: 41.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2983.673587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.673587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.673587 (E_RNA)
where:
Base-Base interactions energy: -2023.432
where: short stacking energy: -867.884
Base-Backbone interact. energy: 4.276
local terms energy: -964.517860
where:
bonds (distance) C4'-P energy: -190.325
bonds (distance) P-C4' energy: -181.212
flat angles C4'-P-C4' energy: -210.743
flat angles P-C4'-P energy: -133.715
tors. eta vs tors. theta energy: -248.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2825.498387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.498387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.498387 (E_RNA)
where:
Base-Base interactions energy: -1915.681
where: short stacking energy: -833.351
Base-Backbone interact. energy: -3.111
local terms energy: -906.705889
where:
bonds (distance) C4'-P energy: -173.235
bonds (distance) P-C4' energy: -179.589
flat angles C4'-P-C4' energy: -203.888
flat angles P-C4'-P energy: -124.341
tors. eta vs tors. theta energy: -225.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2693.160518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.160518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.160518 (E_RNA)
where:
Base-Base interactions energy: -1863.640
where: short stacking energy: -751.143
Base-Backbone interact. energy: -4.465
local terms energy: -825.055349
where:
bonds (distance) C4'-P energy: -163.533
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -182.209
flat angles P-C4'-P energy: -133.111
tors. eta vs tors. theta energy: -191.399
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2665.392499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.392499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.392499 (E_RNA)
where:
Base-Base interactions energy: -1773.337
where: short stacking energy: -766.924
Base-Backbone interact. energy: -0.842
local terms energy: -891.214170
where:
bonds (distance) C4'-P energy: -168.587
bonds (distance) P-C4' energy: -167.712
flat angles C4'-P-C4' energy: -198.642
flat angles P-C4'-P energy: -132.318
tors. eta vs tors. theta energy: -223.955
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: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2293.828332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.828332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.828332 (E_RNA)
where:
Base-Base interactions energy: -1523.445
where: short stacking energy: -666.029
Base-Backbone interact. energy: -2.518
local terms energy: -767.865053
where:
bonds (distance) C4'-P energy: -147.357
bonds (distance) P-C4' energy: -171.775
flat angles C4'-P-C4' energy: -168.537
flat angles P-C4'-P energy: -108.313
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: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2077.552758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.552758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.552758 (E_RNA)
where:
Base-Base interactions energy: -1363.285
where: short stacking energy: -610.140
Base-Backbone interact. energy: 1.043
local terms energy: -715.310829
where:
bonds (distance) C4'-P energy: -159.876
bonds (distance) P-C4' energy: -155.909
flat angles C4'-P-C4' energy: -151.741
flat angles P-C4'-P energy: -99.325
tors. eta vs tors. theta energy: -148.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1673.805435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.805435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.805435 (E_RNA)
where:
Base-Base interactions energy: -1018.048
where: short stacking energy: -481.924
Base-Backbone interact. energy: -2.418
local terms energy: -653.339617
where:
bonds (distance) C4'-P energy: -153.211
bonds (distance) P-C4' energy: -167.769
flat angles C4'-P-C4' energy: -144.847
flat angles P-C4'-P energy: -112.863
tors. eta vs tors. theta energy: -74.650
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: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1389.017537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.017537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.017537 (E_RNA)
where:
Base-Base interactions energy: -819.588
where: short stacking energy: -395.115
Base-Backbone interact. energy: 3.314
local terms energy: -572.743883
where:
bonds (distance) C4'-P energy: -169.026
bonds (distance) P-C4' energy: -159.704
flat angles C4'-P-C4' energy: -133.471
flat angles P-C4'-P energy: -82.166
tors. eta vs tors. theta energy: -28.377
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: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1002.354400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.354400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.354400 (E_RNA)
where:
Base-Base interactions energy: -496.331
where: short stacking energy: -280.716
Base-Backbone interact. energy: 1.972
local terms energy: -507.995523
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -161.917
flat angles C4'-P-C4' energy: -144.230
flat angles P-C4'-P energy: -79.257
tors. eta vs tors. theta energy: 9.331
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: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -721.060519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.060519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.060519 (E_RNA)
where:
Base-Base interactions energy: -288.204
where: short stacking energy: -187.207
Base-Backbone interact. energy: 1.005
local terms energy: -433.861276
where:
bonds (distance) C4'-P energy: -133.571
bonds (distance) P-C4' energy: -165.069
flat angles C4'-P-C4' energy: -133.715
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: 41.212
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: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -3024.610878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.610878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.610878 (E_RNA)
where:
Base-Base interactions energy: -2059.785
where: short stacking energy: -893.022
Base-Backbone interact. energy: -3.841
local terms energy: -960.985252
where:
bonds (distance) C4'-P energy: -181.389
bonds (distance) P-C4' energy: -192.056
flat angles C4'-P-C4' energy: -195.429
flat angles P-C4'-P energy: -142.003
tors. eta vs tors. theta energy: -250.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2817.226867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.226867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.226867 (E_RNA)
where:
Base-Base interactions energy: -1893.401
where: short stacking energy: -853.221
Base-Backbone interact. energy: -5.906
local terms energy: -917.920219
where:
bonds (distance) C4'-P energy: -162.126
bonds (distance) P-C4' energy: -177.335
flat angles C4'-P-C4' energy: -194.400
flat angles P-C4'-P energy: -140.623
tors. eta vs tors. theta energy: -243.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2691.724305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.724305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.724305 (E_RNA)
where:
Base-Base interactions energy: -1837.053
where: short stacking energy: -774.540
Base-Backbone interact. energy: -0.377
local terms energy: -854.293549
where:
bonds (distance) C4'-P energy: -141.002
bonds (distance) P-C4' energy: -183.192
flat angles C4'-P-C4' energy: -190.157
flat angles P-C4'-P energy: -126.844
tors. eta vs tors. theta energy: -213.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2675.723622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.723622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.723622 (E_RNA)
where:
Base-Base interactions energy: -1805.330
where: short stacking energy: -777.167
Base-Backbone interact. energy: -4.672
local terms energy: -865.721115
where:
bonds (distance) C4'-P energy: -151.882
bonds (distance) P-C4' energy: -165.248
flat angles C4'-P-C4' energy: -188.172
flat angles P-C4'-P energy: -108.487
tors. eta vs tors. theta energy: -251.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2307.957302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.957302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.957302 (E_RNA)
where:
Base-Base interactions energy: -1525.348
where: short stacking energy: -685.044
Base-Backbone interact. energy: -1.989
local terms energy: -780.619564
where:
bonds (distance) C4'-P energy: -144.974
bonds (distance) P-C4' energy: -173.529
flat angles C4'-P-C4' energy: -180.886
flat angles P-C4'-P energy: -98.557
tors. eta vs tors. theta energy: -182.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2105.505373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.505373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.505373 (E_RNA)
where:
Base-Base interactions energy: -1366.019
where: short stacking energy: -611.985
Base-Backbone interact. energy: -0.733
local terms energy: -738.753178
where:
bonds (distance) C4'-P energy: -155.207
bonds (distance) P-C4' energy: -158.765
flat angles C4'-P-C4' energy: -163.563
flat angles P-C4'-P energy: -108.358
tors. eta vs tors. theta energy: -152.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1698.699461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.699461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.699461 (E_RNA)
where:
Base-Base interactions energy: -1033.593
where: short stacking energy: -441.470
Base-Backbone interact. energy: 0.028
local terms energy: -665.134369
where:
bonds (distance) C4'-P energy: -140.952
bonds (distance) P-C4' energy: -168.351
flat angles C4'-P-C4' energy: -149.905
flat angles P-C4'-P energy: -113.755
tors. eta vs tors. theta energy: -92.171
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: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1413.423105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.423105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.423105 (E_RNA)
where:
Base-Base interactions energy: -810.251
where: short stacking energy: -375.452
Base-Backbone interact. energy: 0.600
local terms energy: -603.772450
where:
bonds (distance) C4'-P energy: -136.514
bonds (distance) P-C4' energy: -166.036
flat angles C4'-P-C4' energy: -144.509
flat angles P-C4'-P energy: -95.154
tors. eta vs tors. theta energy: -61.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1013.524144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.524144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.524144 (E_RNA)
where:
Base-Base interactions energy: -530.873
where: short stacking energy: -305.383
Base-Backbone interact. energy: 7.853
local terms energy: -490.504590
where:
bonds (distance) C4'-P energy: -141.928
bonds (distance) P-C4' energy: -131.914
flat angles C4'-P-C4' energy: -113.336
flat angles P-C4'-P energy: -91.669
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -704.724263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.724263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.724263 (E_RNA)
where:
Base-Base interactions energy: -312.979
where: short stacking energy: -226.713
Base-Backbone interact. energy: 3.145
local terms energy: -394.890551
where:
bonds (distance) C4'-P energy: -131.930
bonds (distance) P-C4' energy: -134.709
flat angles C4'-P-C4' energy: -119.711
flat angles P-C4'-P energy: -54.172
tors. eta vs tors. theta energy: 45.632
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: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -3037.077793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.077793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.077793 (E_RNA)
where:
Base-Base interactions energy: -2072.592
where: short stacking energy: -840.275
Base-Backbone interact. energy: 1.269
local terms energy: -965.754902
where:
bonds (distance) C4'-P energy: -185.237
bonds (distance) P-C4' energy: -180.984
flat angles C4'-P-C4' energy: -198.470
flat angles P-C4'-P energy: -140.851
tors. eta vs tors. theta energy: -260.214
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: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2792.031985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.031985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.031985 (E_RNA)
where:
Base-Base interactions energy: -1900.062
where: short stacking energy: -786.175
Base-Backbone interact. energy: -3.249
local terms energy: -888.721287
where:
bonds (distance) C4'-P energy: -163.799
bonds (distance) P-C4' energy: -181.966
flat angles C4'-P-C4' energy: -198.617
flat angles P-C4'-P energy: -122.803
tors. eta vs tors. theta energy: -221.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2738.270916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.270916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.270916 (E_RNA)
where:
Base-Base interactions energy: -1863.276
where: short stacking energy: -791.071
Base-Backbone interact. energy: -2.658
local terms energy: -872.337700
where:
bonds (distance) C4'-P energy: -167.882
bonds (distance) P-C4' energy: -175.426
flat angles C4'-P-C4' energy: -185.936
flat angles P-C4'-P energy: -113.330
tors. eta vs tors. theta energy: -229.764
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: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2652.964185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.964185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.964185 (E_RNA)
where:
Base-Base interactions energy: -1779.431
where: short stacking energy: -785.307
Base-Backbone interact. energy: -1.109
local terms energy: -872.425042
where:
bonds (distance) C4'-P energy: -166.788
bonds (distance) P-C4' energy: -158.883
flat angles C4'-P-C4' energy: -179.375
flat angles P-C4'-P energy: -120.258
tors. eta vs tors. theta energy: -247.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2303.816809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.816809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.816809 (E_RNA)
where:
Base-Base interactions energy: -1564.897
where: short stacking energy: -674.663
Base-Backbone interact. energy: -2.363
local terms energy: -736.557415
where:
bonds (distance) C4'-P energy: -155.497
bonds (distance) P-C4' energy: -138.862
flat angles C4'-P-C4' energy: -166.152
flat angles P-C4'-P energy: -101.973
tors. eta vs tors. theta energy: -174.073
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: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2088.637519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.637519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.637519 (E_RNA)
where:
Base-Base interactions energy: -1381.167
where: short stacking energy: -579.481
Base-Backbone interact. energy: 6.460
local terms energy: -713.930659
where:
bonds (distance) C4'-P energy: -162.050
bonds (distance) P-C4' energy: -135.833
flat angles C4'-P-C4' energy: -181.121
flat angles P-C4'-P energy: -95.926
tors. eta vs tors. theta energy: -139.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1672.198438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.198438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.198438 (E_RNA)
where:
Base-Base interactions energy: -1039.278
where: short stacking energy: -488.987
Base-Backbone interact. energy: -2.126
local terms energy: -630.793801
where:
bonds (distance) C4'-P energy: -145.880
bonds (distance) P-C4' energy: -156.716
flat angles C4'-P-C4' energy: -172.355
flat angles P-C4'-P energy: -76.122
tors. eta vs tors. theta energy: -79.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1403.867153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.867153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.867153 (E_RNA)
where:
Base-Base interactions energy: -838.415
where: short stacking energy: -405.211
Base-Backbone interact. energy: -0.981
local terms energy: -564.470953
where:
bonds (distance) C4'-P energy: -136.094
bonds (distance) P-C4' energy: -141.684
flat angles C4'-P-C4' energy: -159.277
flat angles P-C4'-P energy: -86.712
tors. eta vs tors. theta energy: -40.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1029.778544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.778544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.778544 (E_RNA)
where:
Base-Base interactions energy: -532.676
where: short stacking energy: -284.220
Base-Backbone interact. energy: 4.124
local terms energy: -501.226284
where:
bonds (distance) C4'-P energy: -161.546
bonds (distance) P-C4' energy: -143.417
flat angles C4'-P-C4' energy: -116.600
flat angles P-C4'-P energy: -80.022
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -728.626834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.626834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.626834 (E_RNA)
where:
Base-Base interactions energy: -269.284
where: short stacking energy: -202.306
Base-Backbone interact. energy: 1.569
local terms energy: -460.911500
where:
bonds (distance) C4'-P energy: -142.932
bonds (distance) P-C4' energy: -154.206
flat angles C4'-P-C4' energy: -131.396
flat angles P-C4'-P energy: -68.818
tors. eta vs tors. theta energy: 36.441
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: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -3040.552134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.552134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.552134 (E_RNA)
where:
Base-Base interactions energy: -2082.890
where: short stacking energy: -879.218
Base-Backbone interact. energy: -1.462
local terms energy: -956.200224
where:
bonds (distance) C4'-P energy: -178.834
bonds (distance) P-C4' energy: -175.599
flat angles C4'-P-C4' energy: -208.332
flat angles P-C4'-P energy: -138.886
tors. eta vs tors. theta energy: -254.550
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: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2796.599008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.599008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.599008 (E_RNA)
where:
Base-Base interactions energy: -1892.784
where: short stacking energy: -822.006
Base-Backbone interact. energy: -3.751
local terms energy: -900.064057
where:
bonds (distance) C4'-P energy: -168.554
bonds (distance) P-C4' energy: -176.189
flat angles C4'-P-C4' energy: -199.909
flat angles P-C4'-P energy: -136.746
tors. eta vs tors. theta energy: -218.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2714.709425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.709425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.709425 (E_RNA)
where:
Base-Base interactions energy: -1865.046
where: short stacking energy: -785.274
Base-Backbone interact. energy: -0.282
local terms energy: -849.381557
where:
bonds (distance) C4'-P energy: -143.783
bonds (distance) P-C4' energy: -191.613
flat angles C4'-P-C4' energy: -182.408
flat angles P-C4'-P energy: -121.290
tors. eta vs tors. theta energy: -210.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2642.497186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.497186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.497186 (E_RNA)
where:
Base-Base interactions energy: -1762.740
where: short stacking energy: -748.061
Base-Backbone interact. energy: -1.636
local terms energy: -878.121820
where:
bonds (distance) C4'-P energy: -169.438
bonds (distance) P-C4' energy: -174.090
flat angles C4'-P-C4' energy: -176.575
flat angles P-C4'-P energy: -125.904
tors. eta vs tors. theta energy: -232.114
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: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2318.335510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.335510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.335510 (E_RNA)
where:
Base-Base interactions energy: -1492.206
where: short stacking energy: -667.083
Base-Backbone interact. energy: -2.731
local terms energy: -823.399050
where:
bonds (distance) C4'-P energy: -168.254
bonds (distance) P-C4' energy: -179.507
flat angles C4'-P-C4' energy: -172.136
flat angles P-C4'-P energy: -108.766
tors. eta vs tors. theta energy: -194.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2116.430212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.430212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.430212 (E_RNA)
where:
Base-Base interactions energy: -1385.092
where: short stacking energy: -594.891
Base-Backbone interact. energy: 1.554
local terms energy: -732.892945
where:
bonds (distance) C4'-P energy: -157.968
bonds (distance) P-C4' energy: -149.105
flat angles C4'-P-C4' energy: -165.422
flat angles P-C4'-P energy: -109.098
tors. eta vs tors. theta energy: -151.300
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: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1716.788659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.788659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.788659 (E_RNA)
where:
Base-Base interactions energy: -1079.251
where: short stacking energy: -486.347
Base-Backbone interact. energy: 1.147
local terms energy: -638.685074
where:
bonds (distance) C4'-P energy: -150.096
bonds (distance) P-C4' energy: -174.810
flat angles C4'-P-C4' energy: -146.369
flat angles P-C4'-P energy: -90.225
tors. eta vs tors. theta energy: -77.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1349.942172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.942172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.942172 (E_RNA)
where:
Base-Base interactions energy: -805.442
where: short stacking energy: -382.578
Base-Backbone interact. energy: 1.315
local terms energy: -545.814633
where:
bonds (distance) C4'-P energy: -153.910
bonds (distance) P-C4' energy: -149.234
flat angles C4'-P-C4' energy: -138.566
flat angles P-C4'-P energy: -63.163
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1026.791555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.791555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.791555 (E_RNA)
where:
Base-Base interactions energy: -484.842
where: short stacking energy: -267.808
Base-Backbone interact. energy: -0.681
local terms energy: -541.268998
where:
bonds (distance) C4'-P energy: -135.285
bonds (distance) P-C4' energy: -168.213
flat angles C4'-P-C4' energy: -138.357
flat angles P-C4'-P energy: -84.337
tors. eta vs tors. theta energy: -15.078
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: 137
Temperature: 1.350000
Total energy: -669.103461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.103461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.103461 (E_RNA)
where:
Base-Base interactions energy: -235.932
where: short stacking energy: -185.407
Base-Backbone interact. energy: 4.302
local terms energy: -437.473030
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -136.864
flat angles C4'-P-C4' energy: -147.381
flat angles P-C4'-P energy: -55.897
tors. eta vs tors. theta energy: 34.662
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: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -3032.898688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.898688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.898688 (E_RNA)
where:
Base-Base interactions energy: -2081.845
where: short stacking energy: -877.811
Base-Backbone interact. energy: -4.047
local terms energy: -947.007004
where:
bonds (distance) C4'-P energy: -172.577
bonds (distance) P-C4' energy: -167.960
flat angles C4'-P-C4' energy: -213.216
flat angles P-C4'-P energy: -132.502
tors. eta vs tors. theta energy: -260.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2824.511491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.511491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.511491 (E_RNA)
where:
Base-Base interactions energy: -1887.043
where: short stacking energy: -829.432
Base-Backbone interact. energy: -4.044
local terms energy: -933.425174
where:
bonds (distance) C4'-P energy: -175.579
bonds (distance) P-C4' energy: -188.700
flat angles C4'-P-C4' energy: -193.121
flat angles P-C4'-P energy: -137.230
tors. eta vs tors. theta energy: -238.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2749.445779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.445779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.445779 (E_RNA)
where:
Base-Base interactions energy: -1804.665
where: short stacking energy: -790.621
Base-Backbone interact. energy: -0.551
local terms energy: -944.229279
where:
bonds (distance) C4'-P energy: -174.560
bonds (distance) P-C4' energy: -177.602
flat angles C4'-P-C4' energy: -210.284
flat angles P-C4'-P energy: -132.990
tors. eta vs tors. theta energy: -248.794
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: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2643.783077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.783077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.783077 (E_RNA)
where:
Base-Base interactions energy: -1796.963
where: short stacking energy: -741.371
Base-Backbone interact. energy: -0.030
local terms energy: -846.790045
where:
bonds (distance) C4'-P energy: -169.770
bonds (distance) P-C4' energy: -167.441
flat angles C4'-P-C4' energy: -185.959
flat angles P-C4'-P energy: -112.828
tors. eta vs tors. theta energy: -210.792
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: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2312.158313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.158313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.158313 (E_RNA)
where:
Base-Base interactions energy: -1511.275
where: short stacking energy: -688.294
Base-Backbone interact. energy: -0.368
local terms energy: -800.514947
where:
bonds (distance) C4'-P energy: -160.200
bonds (distance) P-C4' energy: -162.223
flat angles C4'-P-C4' energy: -179.287
flat angles P-C4'-P energy: -107.465
tors. eta vs tors. theta energy: -191.340
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: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2191.446127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.446127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.446127 (E_RNA)
where:
Base-Base interactions energy: -1464.884
where: short stacking energy: -646.150
Base-Backbone interact. energy: -2.313
local terms energy: -724.249831
where:
bonds (distance) C4'-P energy: -136.259
bonds (distance) P-C4' energy: -145.922
flat angles C4'-P-C4' energy: -166.466
flat angles P-C4'-P energy: -116.252
tors. eta vs tors. theta energy: -159.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1653.191198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.191198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.191198 (E_RNA)
where:
Base-Base interactions energy: -1006.242
where: short stacking energy: -482.750
Base-Backbone interact. energy: -2.529
local terms energy: -644.419991
where:
bonds (distance) C4'-P energy: -148.369
bonds (distance) P-C4' energy: -140.327
flat angles C4'-P-C4' energy: -168.448
flat angles P-C4'-P energy: -107.526
tors. eta vs tors. theta energy: -79.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1451.815897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.815897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.815897 (E_RNA)
where:
Base-Base interactions energy: -897.991
where: short stacking energy: -386.470
Base-Backbone interact. energy: 7.124
local terms energy: -560.948835
where:
bonds (distance) C4'-P energy: -148.744
bonds (distance) P-C4' energy: -159.031
flat angles C4'-P-C4' energy: -136.736
flat angles P-C4'-P energy: -70.560
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: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1029.473151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.473151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.473151 (E_RNA)
where:
Base-Base interactions energy: -484.382
where: short stacking energy: -299.880
Base-Backbone interact. energy: 0.739
local terms energy: -545.830617
where:
bonds (distance) C4'-P energy: -171.011
bonds (distance) P-C4' energy: -139.253
flat angles C4'-P-C4' energy: -144.579
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -12.931
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: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -721.361740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.361740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.361740 (E_RNA)
where:
Base-Base interactions energy: -272.270
where: short stacking energy: -236.697
Base-Backbone interact. energy: -1.184
local terms energy: -447.907295
where:
bonds (distance) C4'-P energy: -127.061
bonds (distance) P-C4' energy: -133.418
flat angles C4'-P-C4' energy: -137.091
flat angles P-C4'-P energy: -69.185
tors. eta vs tors. theta energy: 18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -3051.185566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3051.185566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3051.185566 (E_RNA)
where:
Base-Base interactions energy: -2102.442
where: short stacking energy: -888.160
Base-Backbone interact. energy: -3.509
local terms energy: -945.233746
where:
bonds (distance) C4'-P energy: -172.310
bonds (distance) P-C4' energy: -174.335
flat angles C4'-P-C4' energy: -206.657
flat angles P-C4'-P energy: -126.229
tors. eta vs tors. theta energy: -265.703
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: 139
Temperature: 0.950000
Total energy: -2851.528696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.528696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.528696 (E_RNA)
where:
Base-Base interactions energy: -1909.878
where: short stacking energy: -831.335
Base-Backbone interact. energy: -3.863
local terms energy: -937.787790
where:
bonds (distance) C4'-P energy: -175.815
bonds (distance) P-C4' energy: -173.611
flat angles C4'-P-C4' energy: -206.613
flat angles P-C4'-P energy: -131.365
tors. eta vs tors. theta energy: -250.384
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2719.242276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.242276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.242276 (E_RNA)
where:
Base-Base interactions energy: -1827.877
where: short stacking energy: -790.328
Base-Backbone interact. energy: -0.706
local terms energy: -890.658932
where:
bonds (distance) C4'-P energy: -191.959
bonds (distance) P-C4' energy: -158.400
flat angles C4'-P-C4' energy: -181.906
flat angles P-C4'-P energy: -129.515
tors. eta vs tors. theta energy: -228.879
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: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2664.655592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.655592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.655592 (E_RNA)
where:
Base-Base interactions energy: -1857.580
where: short stacking energy: -723.403
Base-Backbone interact. energy: -1.210
local terms energy: -805.865491
where:
bonds (distance) C4'-P energy: -149.737
bonds (distance) P-C4' energy: -153.002
flat angles C4'-P-C4' energy: -185.290
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -204.627
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2331.060151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.060151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.060151 (E_RNA)
where:
Base-Base interactions energy: -1548.414
where: short stacking energy: -696.499
Base-Backbone interact. energy: 3.613
local terms energy: -786.259564
where:
bonds (distance) C4'-P energy: -136.326
bonds (distance) P-C4' energy: -185.438
flat angles C4'-P-C4' energy: -168.495
flat angles P-C4'-P energy: -111.673
tors. eta vs tors. theta energy: -184.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2166.791189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.791189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.791189 (E_RNA)
where:
Base-Base interactions energy: -1448.529
where: short stacking energy: -632.319
Base-Backbone interact. energy: -0.304
local terms energy: -717.958772
where:
bonds (distance) C4'-P energy: -150.744
bonds (distance) P-C4' energy: -143.487
flat angles C4'-P-C4' energy: -166.214
flat angles P-C4'-P energy: -89.589
tors. eta vs tors. theta energy: -167.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1691.589992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.589992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.589992 (E_RNA)
where:
Base-Base interactions energy: -1046.025
where: short stacking energy: -503.729
Base-Backbone interact. energy: 1.397
local terms energy: -646.961633
where:
bonds (distance) C4'-P energy: -160.383
bonds (distance) P-C4' energy: -163.443
flat angles C4'-P-C4' energy: -142.931
flat angles P-C4'-P energy: -79.612
tors. eta vs tors. theta energy: -100.593
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: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1302.624340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.624340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.624340 (E_RNA)
where:
Base-Base interactions energy: -731.686
where: short stacking energy: -333.617
Base-Backbone interact. energy: -0.672
local terms energy: -570.265844
where:
bonds (distance) C4'-P energy: -127.048
bonds (distance) P-C4' energy: -155.224
flat angles C4'-P-C4' energy: -152.778
flat angles P-C4'-P energy: -97.625
tors. eta vs tors. theta energy: -37.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1013.894228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.894228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.894228 (E_RNA)
where:
Base-Base interactions energy: -496.316
where: short stacking energy: -256.123
Base-Backbone interact. energy: -1.432
local terms energy: -516.146482
where:
bonds (distance) C4'-P energy: -153.850
bonds (distance) P-C4' energy: -154.940
flat angles C4'-P-C4' energy: -141.003
flat angles P-C4'-P energy: -77.474
tors. eta vs tors. theta energy: 11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -698.105691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.105691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.105691 (E_RNA)
where:
Base-Base interactions energy: -304.789
where: short stacking energy: -199.880
Base-Backbone interact. energy: 0.458
local terms energy: -393.774734
where:
bonds (distance) C4'-P energy: -137.772
bonds (distance) P-C4' energy: -139.166
flat angles C4'-P-C4' energy: -129.997
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: 55.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -3036.424700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.424700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.424700 (E_RNA)
where:
Base-Base interactions energy: -2078.568
where: short stacking energy: -897.795
Base-Backbone interact. energy: -6.668
local terms energy: -951.188727
where:
bonds (distance) C4'-P energy: -174.634
bonds (distance) P-C4' energy: -190.010
flat angles C4'-P-C4' energy: -183.867
flat angles P-C4'-P energy: -130.552
tors. eta vs tors. theta energy: -272.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2854.568933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.568933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.568933 (E_RNA)
where:
Base-Base interactions energy: -1919.568
where: short stacking energy: -828.909
Base-Backbone interact. energy: -3.409
local terms energy: -931.591728
where:
bonds (distance) C4'-P energy: -164.460
bonds (distance) P-C4' energy: -184.497
flat angles C4'-P-C4' energy: -199.294
flat angles P-C4'-P energy: -132.897
tors. eta vs tors. theta energy: -250.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2769.784862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.784862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.784862 (E_RNA)
where:
Base-Base interactions energy: -1895.691
where: short stacking energy: -816.928
Base-Backbone interact. energy: -2.291
local terms energy: -871.802529
where:
bonds (distance) C4'-P energy: -166.325
bonds (distance) P-C4' energy: -160.917
flat angles C4'-P-C4' energy: -184.631
flat angles P-C4'-P energy: -134.910
tors. eta vs tors. theta energy: -225.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2640.185415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.185415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.185415 (E_RNA)
where:
Base-Base interactions energy: -1793.321
where: short stacking energy: -741.003
Base-Backbone interact. energy: -0.143
local terms energy: -846.721546
where:
bonds (distance) C4'-P energy: -156.306
bonds (distance) P-C4' energy: -174.743
flat angles C4'-P-C4' energy: -185.389
flat angles P-C4'-P energy: -125.308
tors. eta vs tors. theta energy: -204.976
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: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2316.386666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.386666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.386666 (E_RNA)
where:
Base-Base interactions energy: -1528.693
where: short stacking energy: -678.410
Base-Backbone interact. energy: -3.682
local terms energy: -784.011696
where:
bonds (distance) C4'-P energy: -155.168
bonds (distance) P-C4' energy: -158.006
flat angles C4'-P-C4' energy: -180.709
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -187.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2163.704749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.704749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.704749 (E_RNA)
where:
Base-Base interactions energy: -1442.979
where: short stacking energy: -648.885
Base-Backbone interact. energy: -4.343
local terms energy: -716.382460
where:
bonds (distance) C4'-P energy: -154.941
bonds (distance) P-C4' energy: -146.604
flat angles C4'-P-C4' energy: -174.024
flat angles P-C4'-P energy: -82.651
tors. eta vs tors. theta energy: -158.162
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: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1559.924862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.924862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.924862 (E_RNA)
where:
Base-Base interactions energy: -923.230
where: short stacking energy: -426.268
Base-Backbone interact. energy: 2.044
local terms energy: -638.739163
where:
bonds (distance) C4'-P energy: -165.431
bonds (distance) P-C4' energy: -162.279
flat angles C4'-P-C4' energy: -152.338
flat angles P-C4'-P energy: -79.090
tors. eta vs tors. theta energy: -79.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1312.022448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.022448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.022448 (E_RNA)
where:
Base-Base interactions energy: -767.126
where: short stacking energy: -357.913
Base-Backbone interact. energy: 0.787
local terms energy: -545.682895
where:
bonds (distance) C4'-P energy: -145.595
bonds (distance) P-C4' energy: -142.985
flat angles C4'-P-C4' energy: -139.397
flat angles P-C4'-P energy: -79.479
tors. eta vs tors. theta energy: -38.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1002.888690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.888690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.888690 (E_RNA)
where:
Base-Base interactions energy: -496.766
where: short stacking energy: -271.470
Base-Backbone interact. energy: 3.910
local terms energy: -510.033457
where:
bonds (distance) C4'-P energy: -144.470
bonds (distance) P-C4' energy: -159.518
flat angles C4'-P-C4' energy: -118.807
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: 5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -748.554641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.554641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.554641 (E_RNA)
where:
Base-Base interactions energy: -293.669
where: short stacking energy: -238.366
Base-Backbone interact. energy: 5.344
local terms energy: -460.229362
where:
bonds (distance) C4'-P energy: -135.582
bonds (distance) P-C4' energy: -149.789
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -63.168
tors. eta vs tors. theta energy: 22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -3044.316324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.316324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.316324 (E_RNA)
where:
Base-Base interactions energy: -2088.362
where: short stacking energy: -864.063
Base-Backbone interact. energy: -3.331
local terms energy: -952.623051
where:
bonds (distance) C4'-P energy: -179.332
bonds (distance) P-C4' energy: -178.331
flat angles C4'-P-C4' energy: -193.898
flat angles P-C4'-P energy: -143.256
tors. eta vs tors. theta energy: -257.805
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: 141
Temperature: 0.950000
Total energy: -2908.763253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.763253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.763253 (E_RNA)
where:
Base-Base interactions energy: -1994.573
where: short stacking energy: -887.410
Base-Backbone interact. energy: -6.416
local terms energy: -907.774129
where:
bonds (distance) C4'-P energy: -152.490
bonds (distance) P-C4' energy: -172.760
flat angles C4'-P-C4' energy: -199.448
flat angles P-C4'-P energy: -119.325
tors. eta vs tors. theta energy: -263.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2752.351178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.351178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.351178 (E_RNA)
where:
Base-Base interactions energy: -1891.140
where: short stacking energy: -792.956
Base-Backbone interact. energy: -1.528
local terms energy: -859.683323
where:
bonds (distance) C4'-P energy: -175.820
bonds (distance) P-C4' energy: -161.022
flat angles C4'-P-C4' energy: -183.186
flat angles P-C4'-P energy: -119.070
tors. eta vs tors. theta energy: -220.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2650.499858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.499858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.499858 (E_RNA)
where:
Base-Base interactions energy: -1801.189
where: short stacking energy: -795.413
Base-Backbone interact. energy: -3.444
local terms energy: -845.866679
where:
bonds (distance) C4'-P energy: -136.221
bonds (distance) P-C4' energy: -179.673
flat angles C4'-P-C4' energy: -190.681
flat angles P-C4'-P energy: -126.916
tors. eta vs tors. theta energy: -212.375
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: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2278.779498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.779498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.779498 (E_RNA)
where:
Base-Base interactions energy: -1516.873
where: short stacking energy: -681.006
Base-Backbone interact. energy: -0.450
local terms energy: -761.455686
where:
bonds (distance) C4'-P energy: -134.836
bonds (distance) P-C4' energy: -165.658
flat angles C4'-P-C4' energy: -181.290
flat angles P-C4'-P energy: -113.228
tors. eta vs tors. theta energy: -166.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2146.994727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.994727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.994727 (E_RNA)
where:
Base-Base interactions energy: -1410.280
where: short stacking energy: -603.505
Base-Backbone interact. energy: -4.496
local terms energy: -732.218985
where:
bonds (distance) C4'-P energy: -158.308
bonds (distance) P-C4' energy: -166.394
flat angles C4'-P-C4' energy: -161.327
flat angles P-C4'-P energy: -99.311
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: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1639.843520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.843520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.843520 (E_RNA)
where:
Base-Base interactions energy: -993.365
where: short stacking energy: -489.535
Base-Backbone interact. energy: -2.129
local terms energy: -644.349350
where:
bonds (distance) C4'-P energy: -141.218
bonds (distance) P-C4' energy: -167.126
flat angles C4'-P-C4' energy: -142.880
flat angles P-C4'-P energy: -84.739
tors. eta vs tors. theta energy: -108.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1224.313455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.313455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.313455 (E_RNA)
where:
Base-Base interactions energy: -694.258
where: short stacking energy: -325.183
Base-Backbone interact. energy: 7.362
local terms energy: -537.417160
where:
bonds (distance) C4'-P energy: -145.678
bonds (distance) P-C4' energy: -152.670
flat angles C4'-P-C4' energy: -128.356
flat angles P-C4'-P energy: -87.740
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -995.525876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.525876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.525876 (E_RNA)
where:
Base-Base interactions energy: -473.711
where: short stacking energy: -257.258
Base-Backbone interact. energy: -1.236
local terms energy: -520.579412
where:
bonds (distance) C4'-P energy: -156.516
bonds (distance) P-C4' energy: -161.793
flat angles C4'-P-C4' energy: -130.697
flat angles P-C4'-P energy: -85.315
tors. eta vs tors. theta energy: 13.741
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -743.756943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.756943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.756943 (E_RNA)
where:
Base-Base interactions energy: -303.020
where: short stacking energy: -229.044
Base-Backbone interact. energy: 11.701
local terms energy: -452.438000
where:
bonds (distance) C4'-P energy: -149.849
bonds (distance) P-C4' energy: -139.125
flat angles C4'-P-C4' energy: -104.677
flat angles P-C4'-P energy: -63.508
tors. eta vs tors. theta energy: 4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -3008.757347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.757347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.757347 (E_RNA)
where:
Base-Base interactions energy: -2059.855
where: short stacking energy: -863.937
Base-Backbone interact. energy: -3.364
local terms energy: -945.538542
where:
bonds (distance) C4'-P energy: -172.892
bonds (distance) P-C4' energy: -180.629
flat angles C4'-P-C4' energy: -201.688
flat angles P-C4'-P energy: -134.303
tors. eta vs tors. theta energy: -256.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2864.118061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.118061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.118061 (E_RNA)
where:
Base-Base interactions energy: -1943.159
where: short stacking energy: -847.147
Base-Backbone interact. energy: -2.213
local terms energy: -918.746547
where:
bonds (distance) C4'-P energy: -155.671
bonds (distance) P-C4' energy: -172.656
flat angles C4'-P-C4' energy: -205.511
flat angles P-C4'-P energy: -126.092
tors. eta vs tors. theta energy: -258.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2790.023580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.023580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.023580 (E_RNA)
where:
Base-Base interactions energy: -1899.526
where: short stacking energy: -792.567
Base-Backbone interact. energy: -6.983
local terms energy: -883.514588
where:
bonds (distance) C4'-P energy: -155.000
bonds (distance) P-C4' energy: -184.928
flat angles C4'-P-C4' energy: -194.185
flat angles P-C4'-P energy: -127.879
tors. eta vs tors. theta energy: -221.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2624.516225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.516225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.516225 (E_RNA)
where:
Base-Base interactions energy: -1743.435
where: short stacking energy: -747.070
Base-Backbone interact. energy: -2.805
local terms energy: -878.276142
where:
bonds (distance) C4'-P energy: -189.667
bonds (distance) P-C4' energy: -167.824
flat angles C4'-P-C4' energy: -178.424
flat angles P-C4'-P energy: -122.654
tors. eta vs tors. theta energy: -219.707
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2255.598502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.598502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.598502 (E_RNA)
where:
Base-Base interactions energy: -1515.292
where: short stacking energy: -651.472
Base-Backbone interact. energy: -0.052
local terms energy: -740.254851
where:
bonds (distance) C4'-P energy: -163.745
bonds (distance) P-C4' energy: -158.621
flat angles C4'-P-C4' energy: -177.940
flat angles P-C4'-P energy: -83.516
tors. eta vs tors. theta energy: -156.432
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: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2198.944045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.944045 (E_RNA)
where:
Base-Base interactions energy: -1431.129
where: short stacking energy: -645.702
Base-Backbone interact. energy: 3.432
local terms energy: -771.246630
where:
bonds (distance) C4'-P energy: -135.639
bonds (distance) P-C4' energy: -183.357
flat angles C4'-P-C4' energy: -173.482
flat angles P-C4'-P energy: -112.653
tors. eta vs tors. theta energy: -166.116
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1626.259136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.259136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.259136 (E_RNA)
where:
Base-Base interactions energy: -979.091
where: short stacking energy: -476.295
Base-Backbone interact. energy: 3.499
local terms energy: -650.667831
where:
bonds (distance) C4'-P energy: -153.457
bonds (distance) P-C4' energy: -149.434
flat angles C4'-P-C4' energy: -163.004
flat angles P-C4'-P energy: -98.597
tors. eta vs tors. theta energy: -86.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1288.581733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.581733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.581733 (E_RNA)
where:
Base-Base interactions energy: -740.604
where: short stacking energy: -362.892
Base-Backbone interact. energy: -3.069
local terms energy: -544.908919
where:
bonds (distance) C4'-P energy: -136.421
bonds (distance) P-C4' energy: -154.336
flat angles C4'-P-C4' energy: -146.502
flat angles P-C4'-P energy: -66.984
tors. eta vs tors. theta energy: -40.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -979.285795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.285795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.285795 (E_RNA)
where:
Base-Base interactions energy: -475.785
where: short stacking energy: -281.422
Base-Backbone interact. energy: 0.504
local terms energy: -504.004835
where:
bonds (distance) C4'-P energy: -132.551
bonds (distance) P-C4' energy: -174.420
flat angles C4'-P-C4' energy: -141.146
flat angles P-C4'-P energy: -63.594
tors. eta vs tors. theta energy: 7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -772.084953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.084953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.084953 (E_RNA)
where:
Base-Base interactions energy: -308.461
where: short stacking energy: -194.021
Base-Backbone interact. energy: -1.935
local terms energy: -461.689145
where:
bonds (distance) C4'-P energy: -126.282
bonds (distance) P-C4' energy: -159.273
flat angles C4'-P-C4' energy: -127.869
flat angles P-C4'-P energy: -68.483
tors. eta vs tors. theta energy: 20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -3052.242544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.242544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.242544 (E_RNA)
where:
Base-Base interactions energy: -2094.276
where: short stacking energy: -896.384
Base-Backbone interact. energy: -4.307
local terms energy: -953.658785
where:
bonds (distance) C4'-P energy: -171.225
bonds (distance) P-C4' energy: -181.994
flat angles C4'-P-C4' energy: -194.260
flat angles P-C4'-P energy: -143.740
tors. eta vs tors. theta energy: -262.439
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: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2880.464166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.464166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.464166 (E_RNA)
where:
Base-Base interactions energy: -1946.515
where: short stacking energy: -840.372
Base-Backbone interact. energy: 0.912
local terms energy: -934.861005
where:
bonds (distance) C4'-P energy: -177.998
bonds (distance) P-C4' energy: -166.345
flat angles C4'-P-C4' energy: -206.605
flat angles P-C4'-P energy: -131.573
tors. eta vs tors. theta energy: -252.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2695.035837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.035837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.035837 (E_RNA)
where:
Base-Base interactions energy: -1821.692
where: short stacking energy: -750.347
Base-Backbone interact. energy: -5.219
local terms energy: -868.124976
where:
bonds (distance) C4'-P energy: -170.395
bonds (distance) P-C4' energy: -170.413
flat angles C4'-P-C4' energy: -192.396
flat angles P-C4'-P energy: -133.212
tors. eta vs tors. theta energy: -201.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2588.685222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.685222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.685222 (E_RNA)
where:
Base-Base interactions energy: -1724.934
where: short stacking energy: -728.550
Base-Backbone interact. energy: -3.067
local terms energy: -860.685141
where:
bonds (distance) C4'-P energy: -171.655
bonds (distance) P-C4' energy: -163.973
flat angles C4'-P-C4' energy: -186.166
flat angles P-C4'-P energy: -125.847
tors. eta vs tors. theta energy: -213.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2379.506949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.506949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.506949 (E_RNA)
where:
Base-Base interactions energy: -1585.583
where: short stacking energy: -694.984
Base-Backbone interact. energy: -1.212
local terms energy: -792.712147
where:
bonds (distance) C4'-P energy: -157.060
bonds (distance) P-C4' energy: -152.925
flat angles C4'-P-C4' energy: -183.408
flat angles P-C4'-P energy: -100.957
tors. eta vs tors. theta energy: -198.361
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: 6, replica: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2214.587716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.587716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.587716 (E_RNA)
where:
Base-Base interactions energy: -1477.846
where: short stacking energy: -677.494
Base-Backbone interact. energy: 2.130
local terms energy: -738.871124
where:
bonds (distance) C4'-P energy: -145.473
bonds (distance) P-C4' energy: -156.587
flat angles C4'-P-C4' energy: -170.254
flat angles P-C4'-P energy: -97.800
tors. eta vs tors. theta energy: -168.756
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1690.844754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.844754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.844754 (E_RNA)
where:
Base-Base interactions energy: -1008.793
where: short stacking energy: -444.519
Base-Backbone interact. energy: -3.609
local terms energy: -678.442963
where:
bonds (distance) C4'-P energy: -157.285
bonds (distance) P-C4' energy: -169.254
flat angles C4'-P-C4' energy: -163.674
flat angles P-C4'-P energy: -99.889
tors. eta vs tors. theta energy: -88.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1352.764313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.764313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.764313 (E_RNA)
where:
Base-Base interactions energy: -811.710
where: short stacking energy: -373.857
Base-Backbone interact. energy: 0.566
local terms energy: -541.620075
where:
bonds (distance) C4'-P energy: -146.700
bonds (distance) P-C4' energy: -155.687
flat angles C4'-P-C4' energy: -117.901
flat angles P-C4'-P energy: -97.678
tors. eta vs tors. theta energy: -23.655
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1043.089443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.089443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.089443 (E_RNA)
where:
Base-Base interactions energy: -572.233
where: short stacking energy: -313.767
Base-Backbone interact. energy: 0.348
local terms energy: -471.203614
where:
bonds (distance) C4'-P energy: -124.075
bonds (distance) P-C4' energy: -146.577
flat angles C4'-P-C4' energy: -143.907
flat angles P-C4'-P energy: -70.269
tors. eta vs tors. theta energy: 13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -811.100618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.100618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.100618 (E_RNA)
where:
Base-Base interactions energy: -362.740
where: short stacking energy: -211.058
Base-Backbone interact. energy: 2.255
local terms energy: -450.615403
where:
bonds (distance) C4'-P energy: -142.938
bonds (distance) P-C4' energy: -160.579
flat angles C4'-P-C4' energy: -95.777
flat angles P-C4'-P energy: -84.614
tors. eta vs tors. theta energy: 33.293
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: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -3036.445363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.445363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.445363 (E_RNA)
where:
Base-Base interactions energy: -2087.722
where: short stacking energy: -893.669
Base-Backbone interact. energy: -6.630
local terms energy: -942.092911
where:
bonds (distance) C4'-P energy: -167.780
bonds (distance) P-C4' energy: -179.415
flat angles C4'-P-C4' energy: -202.198
flat angles P-C4'-P energy: -133.572
tors. eta vs tors. theta energy: -259.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2918.163147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.163147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.163147 (E_RNA)
where:
Base-Base interactions energy: -1968.518
where: short stacking energy: -852.169
Base-Backbone interact. energy: -5.218
local terms energy: -944.427045
where:
bonds (distance) C4'-P energy: -169.405
bonds (distance) P-C4' energy: -179.635
flat angles C4'-P-C4' energy: -202.895
flat angles P-C4'-P energy: -133.582
tors. eta vs tors. theta energy: -258.909
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: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2765.813954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.813954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.813954 (E_RNA)
where:
Base-Base interactions energy: -1884.668
where: short stacking energy: -766.253
Base-Backbone interact. energy: -3.507
local terms energy: -877.638257
where:
bonds (distance) C4'-P energy: -185.242
bonds (distance) P-C4' energy: -149.443
flat angles C4'-P-C4' energy: -192.326
flat angles P-C4'-P energy: -114.967
tors. eta vs tors. theta energy: -235.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2634.687929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.687929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.687929 (E_RNA)
where:
Base-Base interactions energy: -1754.862
where: short stacking energy: -733.622
Base-Backbone interact. energy: -3.389
local terms energy: -876.436716
where:
bonds (distance) C4'-P energy: -173.011
bonds (distance) P-C4' energy: -178.922
flat angles C4'-P-C4' energy: -186.745
flat angles P-C4'-P energy: -124.323
tors. eta vs tors. theta energy: -213.435
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: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2335.140308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.140308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.140308 (E_RNA)
where:
Base-Base interactions energy: -1547.087
where: short stacking energy: -676.494
Base-Backbone interact. energy: -2.316
local terms energy: -785.737410
where:
bonds (distance) C4'-P energy: -157.106
bonds (distance) P-C4' energy: -161.717
flat angles C4'-P-C4' energy: -194.232
flat angles P-C4'-P energy: -97.326
tors. eta vs tors. theta energy: -175.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2209.548678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.548678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.548678 (E_RNA)
where:
Base-Base interactions energy: -1443.421
where: short stacking energy: -645.192
Base-Backbone interact. energy: 1.555
local terms energy: -767.681899
where:
bonds (distance) C4'-P energy: -168.971
bonds (distance) P-C4' energy: -160.409
flat angles C4'-P-C4' energy: -178.539
flat angles P-C4'-P energy: -99.032
tors. eta vs tors. theta energy: -160.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1590.310417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.310417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.310417 (E_RNA)
where:
Base-Base interactions energy: -975.948
where: short stacking energy: -466.624
Base-Backbone interact. energy: 4.172
local terms energy: -618.533912
where:
bonds (distance) C4'-P energy: -128.446
bonds (distance) P-C4' energy: -144.945
flat angles C4'-P-C4' energy: -145.623
flat angles P-C4'-P energy: -100.887
tors. eta vs tors. theta energy: -98.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1316.915363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.915363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.915363 (E_RNA)
where:
Base-Base interactions energy: -750.967
where: short stacking energy: -367.815
Base-Backbone interact. energy: -1.670
local terms energy: -564.278549
where:
bonds (distance) C4'-P energy: -130.978
bonds (distance) P-C4' energy: -154.791
flat angles C4'-P-C4' energy: -146.407
flat angles P-C4'-P energy: -85.575
tors. eta vs tors. theta energy: -46.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -896.137302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.137302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.137302 (E_RNA)
where:
Base-Base interactions energy: -440.837
where: short stacking energy: -241.850
Base-Backbone interact. energy: -0.556
local terms energy: -454.744729
where:
bonds (distance) C4'-P energy: -122.552
bonds (distance) P-C4' energy: -159.181
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -84.974
tors. eta vs tors. theta energy: 15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -896.435342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.435342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.435342 (E_RNA)
where:
Base-Base interactions energy: -449.289
where: short stacking energy: -250.116
Base-Backbone interact. energy: 5.056
local terms energy: -452.202194
where:
bonds (distance) C4'-P energy: -145.484
bonds (distance) P-C4' energy: -151.779
flat angles C4'-P-C4' energy: -136.221
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: 33.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -3009.106708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.106708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.106708 (E_RNA)
where:
Base-Base interactions energy: -2058.121
where: short stacking energy: -865.370
Base-Backbone interact. energy: -5.233
local terms energy: -945.752667
where:
bonds (distance) C4'-P energy: -173.816
bonds (distance) P-C4' energy: -181.151
flat angles C4'-P-C4' energy: -209.248
flat angles P-C4'-P energy: -127.864
tors. eta vs tors. theta energy: -253.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2904.034326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.034326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.034326 (E_RNA)
where:
Base-Base interactions energy: -1932.295
where: short stacking energy: -839.047
Base-Backbone interact. energy: -2.952
local terms energy: -968.787372
where:
bonds (distance) C4'-P energy: -202.415
bonds (distance) P-C4' energy: -176.562
flat angles C4'-P-C4' energy: -194.012
flat angles P-C4'-P energy: -130.617
tors. eta vs tors. theta energy: -265.181
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: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2732.081537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.081537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.081537 (E_RNA)
where:
Base-Base interactions energy: -1870.382
where: short stacking energy: -788.572
Base-Backbone interact. energy: 0.956
local terms energy: -862.655012
where:
bonds (distance) C4'-P energy: -169.654
bonds (distance) P-C4' energy: -156.612
flat angles C4'-P-C4' energy: -179.414
flat angles P-C4'-P energy: -125.756
tors. eta vs tors. theta energy: -231.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2665.697142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.697142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.697142 (E_RNA)
where:
Base-Base interactions energy: -1798.519
where: short stacking energy: -759.004
Base-Backbone interact. energy: 1.725
local terms energy: -868.902979
where:
bonds (distance) C4'-P energy: -166.002
bonds (distance) P-C4' energy: -152.163
flat angles C4'-P-C4' energy: -187.229
flat angles P-C4'-P energy: -133.453
tors. eta vs tors. theta energy: -230.057
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: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2277.177937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.177937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.177937 (E_RNA)
where:
Base-Base interactions energy: -1486.648
where: short stacking energy: -647.631
Base-Backbone interact. energy: 0.085
local terms energy: -790.614978
where:
bonds (distance) C4'-P energy: -154.728
bonds (distance) P-C4' energy: -169.957
flat angles C4'-P-C4' energy: -171.685
flat angles P-C4'-P energy: -119.728
tors. eta vs tors. theta energy: -174.516
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: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2157.328043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.328043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.328043 (E_RNA)
where:
Base-Base interactions energy: -1437.064
where: short stacking energy: -636.307
Base-Backbone interact. energy: -0.794
local terms energy: -719.469860
where:
bonds (distance) C4'-P energy: -134.311
bonds (distance) P-C4' energy: -151.176
flat angles C4'-P-C4' energy: -169.233
flat angles P-C4'-P energy: -104.082
tors. eta vs tors. theta energy: -160.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1545.617442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.617442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.617442 (E_RNA)
where:
Base-Base interactions energy: -953.019
where: short stacking energy: -459.950
Base-Backbone interact. energy: 1.054
local terms energy: -593.652820
where:
bonds (distance) C4'-P energy: -149.079
bonds (distance) P-C4' energy: -140.097
flat angles C4'-P-C4' energy: -151.673
flat angles P-C4'-P energy: -87.516
tors. eta vs tors. theta energy: -65.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1339.042485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.042485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.042485 (E_RNA)
where:
Base-Base interactions energy: -750.607
where: short stacking energy: -357.467
Base-Backbone interact. energy: 2.304
local terms energy: -590.739696
where:
bonds (distance) C4'-P energy: -144.712
bonds (distance) P-C4' energy: -153.437
flat angles C4'-P-C4' energy: -160.776
flat angles P-C4'-P energy: -86.088
tors. eta vs tors. theta energy: -45.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -963.987060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.987060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.987060 (E_RNA)
where:
Base-Base interactions energy: -471.242
where: short stacking energy: -244.657
Base-Backbone interact. energy: 2.650
local terms energy: -495.395237
where:
bonds (distance) C4'-P energy: -129.242
bonds (distance) P-C4' energy: -153.622
flat angles C4'-P-C4' energy: -132.813
flat angles P-C4'-P energy: -72.823
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -946.434754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.434754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.434754 (E_RNA)
where:
Base-Base interactions energy: -476.810
where: short stacking energy: -241.722
Base-Backbone interact. energy: -1.309
local terms energy: -468.316328
where:
bonds (distance) C4'-P energy: -135.225
bonds (distance) P-C4' energy: -170.517
flat angles C4'-P-C4' energy: -126.814
flat angles P-C4'-P energy: -62.146
tors. eta vs tors. theta energy: 26.386
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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -3009.964485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.964485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.964485 (E_RNA)
where:
Base-Base interactions energy: -2034.234
where: short stacking energy: -870.392
Base-Backbone interact. energy: -9.157
local terms energy: -966.573357
where:
bonds (distance) C4'-P energy: -191.627
bonds (distance) P-C4' energy: -183.604
flat angles C4'-P-C4' energy: -191.600
flat angles P-C4'-P energy: -140.903
tors. eta vs tors. theta energy: -258.840
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: 146
Temperature: 0.950000
Total energy: -2958.306198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.306198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.306198 (E_RNA)
where:
Base-Base interactions energy: -2015.765
where: short stacking energy: -887.618
Base-Backbone interact. energy: -2.815
local terms energy: -939.725969
where:
bonds (distance) C4'-P energy: -180.176
bonds (distance) P-C4' energy: -175.459
flat angles C4'-P-C4' energy: -193.593
flat angles P-C4'-P energy: -124.596
tors. eta vs tors. theta energy: -265.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2760.035927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.035927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.035927 (E_RNA)
where:
Base-Base interactions energy: -1888.323
where: short stacking energy: -818.719
Base-Backbone interact. energy: 1.310
local terms energy: -873.023331
where:
bonds (distance) C4'-P energy: -162.473
bonds (distance) P-C4' energy: -178.861
flat angles C4'-P-C4' energy: -190.362
flat angles P-C4'-P energy: -112.732
tors. eta vs tors. theta energy: -228.595
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: 146
Temperature: 1.050000
Total energy: -2616.837917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.837917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.837917 (E_RNA)
where:
Base-Base interactions energy: -1767.310
where: short stacking energy: -775.165
Base-Backbone interact. energy: -2.591
local terms energy: -846.936973
where:
bonds (distance) C4'-P energy: -157.401
bonds (distance) P-C4' energy: -175.658
flat angles C4'-P-C4' energy: -178.800
flat angles P-C4'-P energy: -109.524
tors. eta vs tors. theta energy: -225.554
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: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2342.195120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.195120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.195120 (E_RNA)
where:
Base-Base interactions energy: -1533.728
where: short stacking energy: -665.871
Base-Backbone interact. energy: 1.150
local terms energy: -809.617236
where:
bonds (distance) C4'-P energy: -156.413
bonds (distance) P-C4' energy: -157.467
flat angles C4'-P-C4' energy: -182.506
flat angles P-C4'-P energy: -119.624
tors. eta vs tors. theta energy: -193.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2167.343544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.343544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.343544 (E_RNA)
where:
Base-Base interactions energy: -1431.403
where: short stacking energy: -652.100
Base-Backbone interact. energy: 3.455
local terms energy: -739.396333
where:
bonds (distance) C4'-P energy: -158.365
bonds (distance) P-C4' energy: -155.251
flat angles C4'-P-C4' energy: -165.214
flat angles P-C4'-P energy: -91.212
tors. eta vs tors. theta energy: -169.354
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: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1564.794561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.794561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.794561 (E_RNA)
where:
Base-Base interactions energy: -948.407
where: short stacking energy: -455.699
Base-Backbone interact. energy: 6.620
local terms energy: -623.007838
where:
bonds (distance) C4'-P energy: -144.596
bonds (distance) P-C4' energy: -152.419
flat angles C4'-P-C4' energy: -153.909
flat angles P-C4'-P energy: -96.148
tors. eta vs tors. theta energy: -75.935
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: 146
Temperature: 1.250000
Total energy: -1385.436554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.436554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.436554 (E_RNA)
where:
Base-Base interactions energy: -773.511
where: short stacking energy: -367.246
Base-Backbone interact. energy: -4.046
local terms energy: -607.879680
where:
bonds (distance) C4'-P energy: -162.639
bonds (distance) P-C4' energy: -162.547
flat angles C4'-P-C4' energy: -151.464
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1003.107798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.107798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.107798 (E_RNA)
where:
Base-Base interactions energy: -500.445
where: short stacking energy: -274.731
Base-Backbone interact. energy: -5.044
local terms energy: -497.618333
where:
bonds (distance) C4'-P energy: -141.615
bonds (distance) P-C4' energy: -154.371
flat angles C4'-P-C4' energy: -109.704
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -12.404
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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -922.064800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.064800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.064800 (E_RNA)
where:
Base-Base interactions energy: -436.040
where: short stacking energy: -266.594
Base-Backbone interact. energy: 1.307
local terms energy: -487.331444
where:
bonds (distance) C4'-P energy: -144.671
bonds (distance) P-C4' energy: -155.358
flat angles C4'-P-C4' energy: -134.784
flat angles P-C4'-P energy: -70.964
tors. eta vs tors. theta energy: 18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -3023.249765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3023.249765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3023.249765 (E_RNA)
where:
Base-Base interactions energy: -2054.016
where: short stacking energy: -874.931
Base-Backbone interact. energy: -7.980
local terms energy: -961.253707
where:
bonds (distance) C4'-P energy: -184.791
bonds (distance) P-C4' energy: -185.216
flat angles C4'-P-C4' energy: -199.886
flat angles P-C4'-P energy: -137.877
tors. eta vs tors. theta energy: -253.483
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2953.148823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.148823 (E_RNA)
where:
Base-Base interactions energy: -2002.387
where: short stacking energy: -874.786
Base-Backbone interact. energy: -2.256
local terms energy: -948.505052
where:
bonds (distance) C4'-P energy: -172.760
bonds (distance) P-C4' energy: -178.798
flat angles C4'-P-C4' energy: -213.642
flat angles P-C4'-P energy: -120.270
tors. eta vs tors. theta energy: -263.036
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: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2729.553429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.553429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.553429 (E_RNA)
where:
Base-Base interactions energy: -1859.955
where: short stacking energy: -783.900
Base-Backbone interact. energy: -3.003
local terms energy: -866.596120
where:
bonds (distance) C4'-P energy: -148.838
bonds (distance) P-C4' energy: -160.423
flat angles C4'-P-C4' energy: -198.165
flat angles P-C4'-P energy: -136.282
tors. eta vs tors. theta energy: -222.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2604.345106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.345106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.345106 (E_RNA)
where:
Base-Base interactions energy: -1751.148
where: short stacking energy: -776.539
Base-Backbone interact. energy: -1.099
local terms energy: -852.097938
where:
bonds (distance) C4'-P energy: -157.328
bonds (distance) P-C4' energy: -168.123
flat angles C4'-P-C4' energy: -171.922
flat angles P-C4'-P energy: -130.344
tors. eta vs tors. theta energy: -224.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2294.229041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.229041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.229041 (E_RNA)
where:
Base-Base interactions energy: -1482.123
where: short stacking energy: -632.257
Base-Backbone interact. energy: -0.622
local terms energy: -811.483681
where:
bonds (distance) C4'-P energy: -160.579
bonds (distance) P-C4' energy: -184.331
flat angles C4'-P-C4' energy: -176.489
flat angles P-C4'-P energy: -121.376
tors. eta vs tors. theta energy: -168.710
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2174.401749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.401749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.401749 (E_RNA)
where:
Base-Base interactions energy: -1418.707
where: short stacking energy: -637.999
Base-Backbone interact. energy: -3.940
local terms energy: -751.755049
where:
bonds (distance) C4'-P energy: -150.118
bonds (distance) P-C4' energy: -137.815
flat angles C4'-P-C4' energy: -198.728
flat angles P-C4'-P energy: -106.016
tors. eta vs tors. theta energy: -159.078
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: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1560.594018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.594018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.594018 (E_RNA)
where:
Base-Base interactions energy: -972.201
where: short stacking energy: -459.210
Base-Backbone interact. energy: -1.977
local terms energy: -586.415946
where:
bonds (distance) C4'-P energy: -139.953
bonds (distance) P-C4' energy: -157.175
flat angles C4'-P-C4' energy: -126.902
flat angles P-C4'-P energy: -93.343
tors. eta vs tors. theta energy: -69.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1374.564831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.564831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.564831 (E_RNA)
where:
Base-Base interactions energy: -831.507
where: short stacking energy: -411.645
Base-Backbone interact. energy: -5.405
local terms energy: -537.652675
where:
bonds (distance) C4'-P energy: -141.791
bonds (distance) P-C4' energy: -151.059
flat angles C4'-P-C4' energy: -126.228
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -58.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -978.952625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.952625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.952625 (E_RNA)
where:
Base-Base interactions energy: -475.476
where: short stacking energy: -270.094
Base-Backbone interact. energy: 10.504
local terms energy: -513.980697
where:
bonds (distance) C4'-P energy: -134.603
bonds (distance) P-C4' energy: -165.021
flat angles C4'-P-C4' energy: -135.408
flat angles P-C4'-P energy: -81.952
tors. eta vs tors. theta energy: 3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -982.714519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.714519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.714519 (E_RNA)
where:
Base-Base interactions energy: -482.932
where: short stacking energy: -238.882
Base-Backbone interact. energy: -5.876
local terms energy: -493.906552
where:
bonds (distance) C4'-P energy: -128.919
bonds (distance) P-C4' energy: -161.372
flat angles C4'-P-C4' energy: -120.939
flat angles P-C4'-P energy: -82.327
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: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -3001.931438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.931438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.931438 (E_RNA)
where:
Base-Base interactions energy: -2047.729
where: short stacking energy: -868.219
Base-Backbone interact. energy: -5.553
local terms energy: -948.649778
where:
bonds (distance) C4'-P energy: -176.856
bonds (distance) P-C4' energy: -190.012
flat angles C4'-P-C4' energy: -196.067
flat angles P-C4'-P energy: -134.435
tors. eta vs tors. theta energy: -251.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2927.034825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.034825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.034825 (E_RNA)
where:
Base-Base interactions energy: -1971.499
where: short stacking energy: -871.530
Base-Backbone interact. energy: -3.246
local terms energy: -952.289845
where:
bonds (distance) C4'-P energy: -183.782
bonds (distance) P-C4' energy: -163.131
flat angles C4'-P-C4' energy: -214.975
flat angles P-C4'-P energy: -128.154
tors. eta vs tors. theta energy: -262.247
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: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2727.706774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.706774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.706774 (E_RNA)
where:
Base-Base interactions energy: -1863.215
where: short stacking energy: -756.438
Base-Backbone interact. energy: -0.078
local terms energy: -864.414246
where:
bonds (distance) C4'-P energy: -165.000
bonds (distance) P-C4' energy: -165.469
flat angles C4'-P-C4' energy: -201.549
flat angles P-C4'-P energy: -120.749
tors. eta vs tors. theta energy: -211.648
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2601.705635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.705635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.705635 (E_RNA)
where:
Base-Base interactions energy: -1758.431
where: short stacking energy: -752.581
Base-Backbone interact. energy: 1.985
local terms energy: -845.259658
where:
bonds (distance) C4'-P energy: -179.793
bonds (distance) P-C4' energy: -162.153
flat angles C4'-P-C4' energy: -181.821
flat angles P-C4'-P energy: -112.339
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: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2255.467961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.467961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.467961 (E_RNA)
where:
Base-Base interactions energy: -1485.070
where: short stacking energy: -645.704
Base-Backbone interact. energy: -2.688
local terms energy: -767.710067
where:
bonds (distance) C4'-P energy: -155.947
bonds (distance) P-C4' energy: -162.707
flat angles C4'-P-C4' energy: -169.191
flat angles P-C4'-P energy: -119.204
tors. eta vs tors. theta energy: -160.661
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: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2206.996476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.996476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.996476 (E_RNA)
where:
Base-Base interactions energy: -1415.975
where: short stacking energy: -636.372
Base-Backbone interact. energy: -2.591
local terms energy: -788.430537
where:
bonds (distance) C4'-P energy: -137.722
bonds (distance) P-C4' energy: -163.909
flat angles C4'-P-C4' energy: -203.878
flat angles P-C4'-P energy: -121.990
tors. eta vs tors. theta energy: -160.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1659.295726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.295726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.295726 (E_RNA)
where:
Base-Base interactions energy: -1023.302
where: short stacking energy: -452.410
Base-Backbone interact. energy: -2.034
local terms energy: -633.959075
where:
bonds (distance) C4'-P energy: -162.639
bonds (distance) P-C4' energy: -161.859
flat angles C4'-P-C4' energy: -145.987
flat angles P-C4'-P energy: -79.475
tors. eta vs tors. theta energy: -83.998
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: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1318.983841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.983841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.983841 (E_RNA)
where:
Base-Base interactions energy: -733.129
where: short stacking energy: -327.645
Base-Backbone interact. energy: 2.803
local terms energy: -588.658170
where:
bonds (distance) C4'-P energy: -149.845
bonds (distance) P-C4' energy: -160.175
flat angles C4'-P-C4' energy: -165.011
flat angles P-C4'-P energy: -80.766
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -989.594085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.594085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.594085 (E_RNA)
where:
Base-Base interactions energy: -516.061
where: short stacking energy: -280.206
Base-Backbone interact. energy: -0.935
local terms energy: -472.597278
where:
bonds (distance) C4'-P energy: -136.874
bonds (distance) P-C4' energy: -156.481
flat angles C4'-P-C4' energy: -107.122
flat angles P-C4'-P energy: -73.041
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -989.703619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.703619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.703619 (E_RNA)
where:
Base-Base interactions energy: -476.805
where: short stacking energy: -248.507
Base-Backbone interact. energy: 0.159
local terms energy: -513.057212
where:
bonds (distance) C4'-P energy: -142.320
bonds (distance) P-C4' energy: -152.394
flat angles C4'-P-C4' energy: -142.872
flat angles P-C4'-P energy: -72.510
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -3004.589360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.589360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.589360 (E_RNA)
where:
Base-Base interactions energy: -2062.512
where: short stacking energy: -859.317
Base-Backbone interact. energy: -6.935
local terms energy: -935.142834
where:
bonds (distance) C4'-P energy: -178.077
bonds (distance) P-C4' energy: -177.278
flat angles C4'-P-C4' energy: -206.205
flat angles P-C4'-P energy: -132.284
tors. eta vs tors. theta energy: -241.300
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: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2908.592464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.592464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.592464 (E_RNA)
where:
Base-Base interactions energy: -1961.658
where: short stacking energy: -833.813
Base-Backbone interact. energy: -4.659
local terms energy: -942.275366
where:
bonds (distance) C4'-P energy: -169.577
bonds (distance) P-C4' energy: -181.858
flat angles C4'-P-C4' energy: -204.210
flat angles P-C4'-P energy: -128.026
tors. eta vs tors. theta energy: -258.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2707.920737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.920737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.920737 (E_RNA)
where:
Base-Base interactions energy: -1837.028
where: short stacking energy: -751.169
Base-Backbone interact. energy: 5.218
local terms energy: -876.110096
where:
bonds (distance) C4'-P energy: -167.174
bonds (distance) P-C4' energy: -174.230
flat angles C4'-P-C4' energy: -183.922
flat angles P-C4'-P energy: -128.072
tors. eta vs tors. theta energy: -222.713
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: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2629.767649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.767649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.767649 (E_RNA)
where:
Base-Base interactions energy: -1825.138
where: short stacking energy: -771.618
Base-Backbone interact. energy: -3.793
local terms energy: -800.836583
where:
bonds (distance) C4'-P energy: -145.192
bonds (distance) P-C4' energy: -156.271
flat angles C4'-P-C4' energy: -172.952
flat angles P-C4'-P energy: -95.800
tors. eta vs tors. theta energy: -230.622
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: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2323.205550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.205550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.205550 (E_RNA)
where:
Base-Base interactions energy: -1527.040
where: short stacking energy: -668.148
Base-Backbone interact. energy: -1.378
local terms energy: -794.787599
where:
bonds (distance) C4'-P energy: -151.074
bonds (distance) P-C4' energy: -158.381
flat angles C4'-P-C4' energy: -176.906
flat angles P-C4'-P energy: -131.346
tors. eta vs tors. theta energy: -177.080
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: 149
Temperature: 1.150000
Total energy: -2201.250896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.250896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.250896 (E_RNA)
where:
Base-Base interactions energy: -1468.875
where: short stacking energy: -637.980
Base-Backbone interact. energy: 0.749
local terms energy: -733.124631
where:
bonds (distance) C4'-P energy: -152.952
bonds (distance) P-C4' energy: -149.233
flat angles C4'-P-C4' energy: -170.493
flat angles P-C4'-P energy: -98.727
tors. eta vs tors. theta energy: -161.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1662.072688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.072688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.072688 (E_RNA)
where:
Base-Base interactions energy: -1043.699
where: short stacking energy: -503.678
Base-Backbone interact. energy: 12.203
local terms energy: -630.576752
where:
bonds (distance) C4'-P energy: -154.507
bonds (distance) P-C4' energy: -150.628
flat angles C4'-P-C4' energy: -134.325
flat angles P-C4'-P energy: -106.793
tors. eta vs tors. theta energy: -84.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1372.248114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.248114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.248114 (E_RNA)
where:
Base-Base interactions energy: -797.335
where: short stacking energy: -428.107
Base-Backbone interact. energy: -0.963
local terms energy: -573.949882
where:
bonds (distance) C4'-P energy: -149.087
bonds (distance) P-C4' energy: -163.741
flat angles C4'-P-C4' energy: -130.812
flat angles P-C4'-P energy: -62.208
tors. eta vs tors. theta energy: -68.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1038.417218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.417218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.417218 (E_RNA)
where:
Base-Base interactions energy: -500.069
where: short stacking energy: -248.774
Base-Backbone interact. energy: -1.584
local terms energy: -536.764917
where:
bonds (distance) C4'-P energy: -142.410
bonds (distance) P-C4' energy: -164.614
flat angles C4'-P-C4' energy: -137.633
flat angles P-C4'-P energy: -99.828
tors. eta vs tors. theta energy: 7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -913.755305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.755305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.755305 (E_RNA)
where:
Base-Base interactions energy: -458.687
where: short stacking energy: -249.009
Base-Backbone interact. energy: -2.054
local terms energy: -453.014804
where:
bonds (distance) C4'-P energy: -117.913
bonds (distance) P-C4' energy: -144.519
flat angles C4'-P-C4' energy: -117.154
flat angles P-C4'-P energy: -83.930
tors. eta vs tors. theta energy: 10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -3028.990879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.990879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.990879 (E_RNA)
where:
Base-Base interactions energy: -2053.271
where: short stacking energy: -892.049
Base-Backbone interact. energy: -7.190
local terms energy: -968.529303
where:
bonds (distance) C4'-P energy: -182.643
bonds (distance) P-C4' energy: -163.298
flat angles C4'-P-C4' energy: -215.291
flat angles P-C4'-P energy: -139.402
tors. eta vs tors. theta energy: -267.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2972.998102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.998102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.998102 (E_RNA)
where:
Base-Base interactions energy: -2037.826
where: short stacking energy: -893.025
Base-Backbone interact. energy: -2.332
local terms energy: -932.839592
where:
bonds (distance) C4'-P energy: -162.179
bonds (distance) P-C4' energy: -158.711
flat angles C4'-P-C4' energy: -208.417
flat angles P-C4'-P energy: -129.377
tors. eta vs tors. theta energy: -274.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2758.544062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.544062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.544062 (E_RNA)
where:
Base-Base interactions energy: -1899.455
where: short stacking energy: -802.526
Base-Backbone interact. energy: -2.344
local terms energy: -856.744678
where:
bonds (distance) C4'-P energy: -169.498
bonds (distance) P-C4' energy: -169.033
flat angles C4'-P-C4' energy: -188.300
flat angles P-C4'-P energy: -117.555
tors. eta vs tors. theta energy: -212.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2641.317588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.317588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.317588 (E_RNA)
where:
Base-Base interactions energy: -1773.082
where: short stacking energy: -741.866
Base-Backbone interact. energy: -4.038
local terms energy: -864.197884
where:
bonds (distance) C4'-P energy: -168.941
bonds (distance) P-C4' energy: -170.587
flat angles C4'-P-C4' energy: -200.713
flat angles P-C4'-P energy: -108.975
tors. eta vs tors. theta energy: -214.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2319.782876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.782876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.782876 (E_RNA)
where:
Base-Base interactions energy: -1515.694
where: short stacking energy: -645.585
Base-Backbone interact. energy: -1.247
local terms energy: -802.841916
where:
bonds (distance) C4'-P energy: -149.686
bonds (distance) P-C4' energy: -185.962
flat angles C4'-P-C4' energy: -182.944
flat angles P-C4'-P energy: -120.050
tors. eta vs tors. theta energy: -164.200
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: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2201.628337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.628337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.628337 (E_RNA)
where:
Base-Base interactions energy: -1432.632
where: short stacking energy: -639.358
Base-Backbone interact. energy: -2.647
local terms energy: -766.349858
where:
bonds (distance) C4'-P energy: -143.228
bonds (distance) P-C4' energy: -175.464
flat angles C4'-P-C4' energy: -164.008
flat angles P-C4'-P energy: -101.100
tors. eta vs tors. theta energy: -182.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1605.242040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.242040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.242040 (E_RNA)
where:
Base-Base interactions energy: -980.679
where: short stacking energy: -455.800
Base-Backbone interact. energy: 4.768
local terms energy: -629.330791
where:
bonds (distance) C4'-P energy: -159.903
bonds (distance) P-C4' energy: -160.959
flat angles C4'-P-C4' energy: -142.295
flat angles P-C4'-P energy: -83.980
tors. eta vs tors. theta energy: -82.194
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: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1305.589006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.589006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.589006 (E_RNA)
where:
Base-Base interactions energy: -706.353
where: short stacking energy: -328.891
Base-Backbone interact. energy: 2.816
local terms energy: -602.052202
where:
bonds (distance) C4'-P energy: -164.640
bonds (distance) P-C4' energy: -174.298
flat angles C4'-P-C4' energy: -125.891
flat angles P-C4'-P energy: -91.407
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -965.793654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.793654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.793654 (E_RNA)
where:
Base-Base interactions energy: -500.112
where: short stacking energy: -272.707
Base-Backbone interact. energy: 1.956
local terms energy: -467.637248
where:
bonds (distance) C4'-P energy: -137.966
bonds (distance) P-C4' energy: -135.066
flat angles C4'-P-C4' energy: -133.290
flat angles P-C4'-P energy: -84.375
tors. eta vs tors. theta energy: 23.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -993.477072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.477072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.477072 (E_RNA)
where:
Base-Base interactions energy: -471.217
where: short stacking energy: -268.571
Base-Backbone interact. energy: 2.239
local terms energy: -524.499477
where:
bonds (distance) C4'-P energy: -140.243
bonds (distance) P-C4' energy: -161.633
flat angles C4'-P-C4' energy: -138.323
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: -9.756
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: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -3026.617784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.617784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.617784 (E_RNA)
where:
Base-Base interactions energy: -2046.052
where: short stacking energy: -849.410
Base-Backbone interact. energy: -5.374
local terms energy: -975.192143
where:
bonds (distance) C4'-P energy: -184.191
bonds (distance) P-C4' energy: -188.133
flat angles C4'-P-C4' energy: -208.148
flat angles P-C4'-P energy: -142.366
tors. eta vs tors. theta energy: -252.355
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -3038.438488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.438488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.438488 (E_RNA)
where:
Base-Base interactions energy: -2037.977
where: short stacking energy: -919.935
Base-Backbone interact. energy: -3.224
local terms energy: -997.238296
where:
bonds (distance) C4'-P energy: -167.747
bonds (distance) P-C4' energy: -191.254
flat angles C4'-P-C4' energy: -200.686
flat angles P-C4'-P energy: -148.734
tors. eta vs tors. theta energy: -288.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2749.372317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.372317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.372317 (E_RNA)
where:
Base-Base interactions energy: -1864.372
where: short stacking energy: -789.627
Base-Backbone interact. energy: -4.449
local terms energy: -880.552243
where:
bonds (distance) C4'-P energy: -175.724
bonds (distance) P-C4' energy: -169.554
flat angles C4'-P-C4' energy: -208.853
flat angles P-C4'-P energy: -101.709
tors. eta vs tors. theta energy: -224.712
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: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2607.778715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.778715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.778715 (E_RNA)
where:
Base-Base interactions energy: -1764.755
where: short stacking energy: -739.815
Base-Backbone interact. energy: -3.175
local terms energy: -839.848614
where:
bonds (distance) C4'-P energy: -157.150
bonds (distance) P-C4' energy: -167.228
flat angles C4'-P-C4' energy: -201.661
flat angles P-C4'-P energy: -105.634
tors. eta vs tors. theta energy: -208.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2343.854125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.854125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.854125 (E_RNA)
where:
Base-Base interactions energy: -1547.411
where: short stacking energy: -671.460
Base-Backbone interact. energy: 0.937
local terms energy: -797.380686
where:
bonds (distance) C4'-P energy: -167.576
bonds (distance) P-C4' energy: -166.100
flat angles C4'-P-C4' energy: -179.526
flat angles P-C4'-P energy: -120.650
tors. eta vs tors. theta energy: -163.528
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: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2254.362868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.362868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.362868 (E_RNA)
where:
Base-Base interactions energy: -1506.582
where: short stacking energy: -636.149
Base-Backbone interact. energy: -1.535
local terms energy: -746.246282
where:
bonds (distance) C4'-P energy: -141.986
bonds (distance) P-C4' energy: -163.156
flat angles C4'-P-C4' energy: -170.244
flat angles P-C4'-P energy: -98.934
tors. eta vs tors. theta energy: -171.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1615.257079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.257079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.257079 (E_RNA)
where:
Base-Base interactions energy: -977.631
where: short stacking energy: -458.346
Base-Backbone interact. energy: -1.745
local terms energy: -635.881324
where:
bonds (distance) C4'-P energy: -165.796
bonds (distance) P-C4' energy: -157.024
flat angles C4'-P-C4' energy: -146.993
flat angles P-C4'-P energy: -91.017
tors. eta vs tors. theta energy: -75.052
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: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1304.321690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.321690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.321690 (E_RNA)
where:
Base-Base interactions energy: -753.699
where: short stacking energy: -395.904
Base-Backbone interact. energy: 2.674
local terms energy: -553.296025
where:
bonds (distance) C4'-P energy: -146.452
bonds (distance) P-C4' energy: -153.432
flat angles C4'-P-C4' energy: -142.758
flat angles P-C4'-P energy: -73.296
tors. eta vs tors. theta energy: -37.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -961.138008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.138008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.138008 (E_RNA)
where:
Base-Base interactions energy: -450.292
where: short stacking energy: -256.290
Base-Backbone interact. energy: -2.142
local terms energy: -508.703919
where:
bonds (distance) C4'-P energy: -134.916
bonds (distance) P-C4' energy: -172.439
flat angles C4'-P-C4' energy: -139.429
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: 10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -918.351093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.351093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.351093 (E_RNA)
where:
Base-Base interactions energy: -433.976
where: short stacking energy: -243.843
Base-Backbone interact. energy: -3.501
local terms energy: -480.873660
where:
bonds (distance) C4'-P energy: -129.679
bonds (distance) P-C4' energy: -162.931
flat angles C4'-P-C4' energy: -118.591
flat angles P-C4'-P energy: -81.689
tors. eta vs tors. theta energy: 12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -3019.720404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.720404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.720404 (E_RNA)
where:
Base-Base interactions energy: -2062.510
where: short stacking energy: -882.086
Base-Backbone interact. energy: 2.687
local terms energy: -959.897492
where:
bonds (distance) C4'-P energy: -182.288
bonds (distance) P-C4' energy: -177.724
flat angles C4'-P-C4' energy: -212.596
flat angles P-C4'-P energy: -138.667
tors. eta vs tors. theta energy: -248.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -3006.044778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.044778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.044778 (E_RNA)
where:
Base-Base interactions energy: -2020.082
where: short stacking energy: -865.928
Base-Backbone interact. energy: 2.455
local terms energy: -988.417455
where:
bonds (distance) C4'-P energy: -178.815
bonds (distance) P-C4' energy: -186.246
flat angles C4'-P-C4' energy: -201.150
flat angles P-C4'-P energy: -146.389
tors. eta vs tors. theta energy: -275.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2747.345069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.345069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.345069 (E_RNA)
where:
Base-Base interactions energy: -1848.970
where: short stacking energy: -758.104
Base-Backbone interact. energy: -3.055
local terms energy: -895.320604
where:
bonds (distance) C4'-P energy: -179.305
bonds (distance) P-C4' energy: -184.913
flat angles C4'-P-C4' energy: -185.131
flat angles P-C4'-P energy: -118.139
tors. eta vs tors. theta energy: -227.832
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: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2621.557289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.557289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.557289 (E_RNA)
where:
Base-Base interactions energy: -1781.216
where: short stacking energy: -758.230
Base-Backbone interact. energy: -2.872
local terms energy: -837.469159
where:
bonds (distance) C4'-P energy: -157.292
bonds (distance) P-C4' energy: -181.816
flat angles C4'-P-C4' energy: -180.051
flat angles P-C4'-P energy: -110.048
tors. eta vs tors. theta energy: -208.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2404.823321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.823321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.823321 (E_RNA)
where:
Base-Base interactions energy: -1565.000
where: short stacking energy: -689.549
Base-Backbone interact. energy: -2.451
local terms energy: -837.371881
where:
bonds (distance) C4'-P energy: -158.795
bonds (distance) P-C4' energy: -176.333
flat angles C4'-P-C4' energy: -183.512
flat angles P-C4'-P energy: -125.057
tors. eta vs tors. theta energy: -193.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2291.894814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.894814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.894814 (E_RNA)
where:
Base-Base interactions energy: -1522.797
where: short stacking energy: -666.954
Base-Backbone interact. energy: 6.969
local terms energy: -776.067441
where:
bonds (distance) C4'-P energy: -166.396
bonds (distance) P-C4' energy: -159.056
flat angles C4'-P-C4' energy: -166.900
flat angles P-C4'-P energy: -97.895
tors. eta vs tors. theta energy: -185.821
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: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1649.216798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.216798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.216798 (E_RNA)
where:
Base-Base interactions energy: -1001.164
where: short stacking energy: -460.373
Base-Backbone interact. energy: 1.094
local terms energy: -649.147208
where:
bonds (distance) C4'-P energy: -174.010
bonds (distance) P-C4' energy: -148.167
flat angles C4'-P-C4' energy: -142.524
flat angles P-C4'-P energy: -98.524
tors. eta vs tors. theta energy: -85.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1332.191513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.191513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.191513 (E_RNA)
where:
Base-Base interactions energy: -790.599
where: short stacking energy: -353.339
Base-Backbone interact. energy: 0.875
local terms energy: -542.467003
where:
bonds (distance) C4'-P energy: -134.814
bonds (distance) P-C4' energy: -146.706
flat angles C4'-P-C4' energy: -151.197
flat angles P-C4'-P energy: -91.034
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1056.841982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.841982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.841982 (E_RNA)
where:
Base-Base interactions energy: -519.097
where: short stacking energy: -291.430
Base-Backbone interact. energy: -3.772
local terms energy: -533.973129
where:
bonds (distance) C4'-P energy: -149.467
bonds (distance) P-C4' energy: -139.504
flat angles C4'-P-C4' energy: -150.137
flat angles P-C4'-P energy: -92.698
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -919.198490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.198490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.198490 (E_RNA)
where:
Base-Base interactions energy: -445.739
where: short stacking energy: -280.056
Base-Backbone interact. energy: 2.423
local terms energy: -475.883026
where:
bonds (distance) C4'-P energy: -140.305
bonds (distance) P-C4' energy: -144.213
flat angles C4'-P-C4' energy: -120.792
flat angles P-C4'-P energy: -91.216
tors. eta vs tors. theta energy: 20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -3029.323359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.323359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.323359 (E_RNA)
where:
Base-Base interactions energy: -2074.338
where: short stacking energy: -863.711
Base-Backbone interact. energy: -7.305
local terms energy: -947.680514
where:
bonds (distance) C4'-P energy: -164.104
bonds (distance) P-C4' energy: -175.534
flat angles C4'-P-C4' energy: -203.747
flat angles P-C4'-P energy: -143.599
tors. eta vs tors. theta energy: -260.697
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: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2955.828672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.828672 (E_RNA)
where:
Base-Base interactions energy: -2022.494
where: short stacking energy: -876.929
Base-Backbone interact. energy: -3.358
local terms energy: -929.976557
where:
bonds (distance) C4'-P energy: -177.608
bonds (distance) P-C4' energy: -154.193
flat angles C4'-P-C4' energy: -205.887
flat angles P-C4'-P energy: -119.974
tors. eta vs tors. theta energy: -272.314
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: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2776.424867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.424867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.424867 (E_RNA)
where:
Base-Base interactions energy: -1904.764
where: short stacking energy: -752.712
Base-Backbone interact. energy: 1.053
local terms energy: -872.714553
where:
bonds (distance) C4'-P energy: -163.845
bonds (distance) P-C4' energy: -186.149
flat angles C4'-P-C4' energy: -192.192
flat angles P-C4'-P energy: -122.644
tors. eta vs tors. theta energy: -207.884
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: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2603.852016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.852016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.852016 (E_RNA)
where:
Base-Base interactions energy: -1714.749
where: short stacking energy: -759.395
Base-Backbone interact. energy: -3.136
local terms energy: -885.966176
where:
bonds (distance) C4'-P energy: -152.091
bonds (distance) P-C4' energy: -172.240
flat angles C4'-P-C4' energy: -205.330
flat angles P-C4'-P energy: -125.941
tors. eta vs tors. theta energy: -230.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2340.700614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.700614 (E_RNA)
where:
Base-Base interactions energy: -1559.951
where: short stacking energy: -692.557
Base-Backbone interact. energy: -4.222
local terms energy: -776.527562
where:
bonds (distance) C4'-P energy: -155.832
bonds (distance) P-C4' energy: -140.626
flat angles C4'-P-C4' energy: -177.510
flat angles P-C4'-P energy: -118.172
tors. eta vs tors. theta energy: -184.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2239.180549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.180549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.180549 (E_RNA)
where:
Base-Base interactions energy: -1450.354
where: short stacking energy: -628.405
Base-Backbone interact. energy: -3.595
local terms energy: -785.231110
where:
bonds (distance) C4'-P energy: -155.115
bonds (distance) P-C4' energy: -176.191
flat angles C4'-P-C4' energy: -178.437
flat angles P-C4'-P energy: -107.230
tors. eta vs tors. theta energy: -168.258
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: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1589.468720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.468720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.468720 (E_RNA)
where:
Base-Base interactions energy: -933.440
where: short stacking energy: -450.970
Base-Backbone interact. energy: -5.011
local terms energy: -651.016788
where:
bonds (distance) C4'-P energy: -155.320
bonds (distance) P-C4' energy: -150.843
flat angles C4'-P-C4' energy: -161.854
flat angles P-C4'-P energy: -94.916
tors. eta vs tors. theta energy: -88.083
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: 153
Temperature: 1.250000
Total energy: -1351.858965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.858965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.858965 (E_RNA)
where:
Base-Base interactions energy: -816.146
where: short stacking energy: -381.184
Base-Backbone interact. energy: -2.231
local terms energy: -533.481999
where:
bonds (distance) C4'-P energy: -153.325
bonds (distance) P-C4' energy: -136.112
flat angles C4'-P-C4' energy: -146.747
flat angles P-C4'-P energy: -69.201
tors. eta vs tors. theta energy: -28.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1030.693251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.693251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.693251 (E_RNA)
where:
Base-Base interactions energy: -533.783
where: short stacking energy: -297.133
Base-Backbone interact. energy: -1.277
local terms energy: -495.633283
where:
bonds (distance) C4'-P energy: -124.824
bonds (distance) P-C4' energy: -154.387
flat angles C4'-P-C4' energy: -114.064
flat angles P-C4'-P energy: -87.857
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -806.028912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.028912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.028912 (E_RNA)
where:
Base-Base interactions energy: -376.078
where: short stacking energy: -209.557
Base-Backbone interact. energy: 4.270
local terms energy: -434.220761
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -154.423
flat angles C4'-P-C4' energy: -129.887
flat angles P-C4'-P energy: -69.615
tors. eta vs tors. theta energy: 37.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -3014.200679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.200679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.200679 (E_RNA)
where:
Base-Base interactions energy: -2071.448
where: short stacking energy: -864.683
Base-Backbone interact. energy: -10.049
local terms energy: -932.703336
where:
bonds (distance) C4'-P energy: -174.856
bonds (distance) P-C4' energy: -178.335
flat angles C4'-P-C4' energy: -205.089
flat angles P-C4'-P energy: -124.138
tors. eta vs tors. theta energy: -250.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2980.202154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.202154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.202154 (E_RNA)
where:
Base-Base interactions energy: -2004.066
where: short stacking energy: -869.873
Base-Backbone interact. energy: -4.579
local terms energy: -971.556520
where:
bonds (distance) C4'-P energy: -180.121
bonds (distance) P-C4' energy: -176.075
flat angles C4'-P-C4' energy: -209.008
flat angles P-C4'-P energy: -139.309
tors. eta vs tors. theta energy: -267.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2759.604909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.604909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.604909 (E_RNA)
where:
Base-Base interactions energy: -1934.821
where: short stacking energy: -772.898
Base-Backbone interact. energy: -1.262
local terms energy: -823.522495
where:
bonds (distance) C4'-P energy: -151.345
bonds (distance) P-C4' energy: -163.819
flat angles C4'-P-C4' energy: -181.908
flat angles P-C4'-P energy: -109.866
tors. eta vs tors. theta energy: -216.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2682.577399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.577399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.577399 (E_RNA)
where:
Base-Base interactions energy: -1794.396
where: short stacking energy: -748.216
Base-Backbone interact. energy: 1.686
local terms energy: -889.866525
where:
bonds (distance) C4'-P energy: -172.048
bonds (distance) P-C4' energy: -170.186
flat angles C4'-P-C4' energy: -188.850
flat angles P-C4'-P energy: -133.512
tors. eta vs tors. theta energy: -225.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2351.176497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.176497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.176497 (E_RNA)
where:
Base-Base interactions energy: -1557.012
where: short stacking energy: -681.220
Base-Backbone interact. energy: -2.732
local terms energy: -791.431704
where:
bonds (distance) C4'-P energy: -143.814
bonds (distance) P-C4' energy: -168.371
flat angles C4'-P-C4' energy: -177.388
flat angles P-C4'-P energy: -116.004
tors. eta vs tors. theta energy: -185.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2194.142660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.142660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.142660 (E_RNA)
where:
Base-Base interactions energy: -1447.911
where: short stacking energy: -657.164
Base-Backbone interact. energy: -1.376
local terms energy: -744.856375
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -153.292
flat angles C4'-P-C4' energy: -184.129
flat angles P-C4'-P energy: -102.825
tors. eta vs tors. theta energy: -164.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1553.190294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.190294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.190294 (E_RNA)
where:
Base-Base interactions energy: -962.359
where: short stacking energy: -474.677
Base-Backbone interact. energy: -2.020
local terms energy: -588.811191
where:
bonds (distance) C4'-P energy: -134.419
bonds (distance) P-C4' energy: -152.048
flat angles C4'-P-C4' energy: -135.180
flat angles P-C4'-P energy: -80.388
tors. eta vs tors. theta energy: -86.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1339.731101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.731101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.731101 (E_RNA)
where:
Base-Base interactions energy: -747.759
where: short stacking energy: -335.049
Base-Backbone interact. energy: 4.244
local terms energy: -596.216226
where:
bonds (distance) C4'-P energy: -154.148
bonds (distance) P-C4' energy: -158.835
flat angles C4'-P-C4' energy: -166.130
flat angles P-C4'-P energy: -97.689
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -961.819494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.819494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.819494 (E_RNA)
where:
Base-Base interactions energy: -461.583
where: short stacking energy: -272.838
Base-Backbone interact. energy: -1.857
local terms energy: -498.379534
where:
bonds (distance) C4'-P energy: -140.885
bonds (distance) P-C4' energy: -148.478
flat angles C4'-P-C4' energy: -136.515
flat angles P-C4'-P energy: -86.285
tors. eta vs tors. theta energy: 13.782
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -922.157043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.157043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.157043 (E_RNA)
where:
Base-Base interactions energy: -460.127
where: short stacking energy: -247.187
Base-Backbone interact. energy: 3.198
local terms energy: -465.228385
where:
bonds (distance) C4'-P energy: -142.609
bonds (distance) P-C4' energy: -131.556
flat angles C4'-P-C4' energy: -137.210
flat angles P-C4'-P energy: -68.428
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: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -3012.626527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.626527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.626527 (E_RNA)
where:
Base-Base interactions energy: -2070.830
where: short stacking energy: -854.358
Base-Backbone interact. energy: -6.142
local terms energy: -935.654439
where:
bonds (distance) C4'-P energy: -180.070
bonds (distance) P-C4' energy: -185.198
flat angles C4'-P-C4' energy: -202.343
flat angles P-C4'-P energy: -113.916
tors. eta vs tors. theta energy: -254.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2989.170561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.170561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.170561 (E_RNA)
where:
Base-Base interactions energy: -2036.855
where: short stacking energy: -884.269
Base-Backbone interact. energy: -0.609
local terms energy: -951.706420
where:
bonds (distance) C4'-P energy: -178.492
bonds (distance) P-C4' energy: -165.599
flat angles C4'-P-C4' energy: -211.657
flat angles P-C4'-P energy: -128.076
tors. eta vs tors. theta energy: -267.882
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: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2738.737552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.737552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.737552 (E_RNA)
where:
Base-Base interactions energy: -1887.984
where: short stacking energy: -790.806
Base-Backbone interact. energy: -0.309
local terms energy: -850.444100
where:
bonds (distance) C4'-P energy: -163.957
bonds (distance) P-C4' energy: -171.243
flat angles C4'-P-C4' energy: -190.976
flat angles P-C4'-P energy: -97.037
tors. eta vs tors. theta energy: -227.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2670.690135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.690135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.690135 (E_RNA)
where:
Base-Base interactions energy: -1785.235
where: short stacking energy: -763.518
Base-Backbone interact. energy: 5.207
local terms energy: -890.662409
where:
bonds (distance) C4'-P energy: -174.483
bonds (distance) P-C4' energy: -170.976
flat angles C4'-P-C4' energy: -191.177
flat angles P-C4'-P energy: -122.895
tors. eta vs tors. theta energy: -231.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2378.728845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.728845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.728845 (E_RNA)
where:
Base-Base interactions energy: -1570.006
where: short stacking energy: -719.417
Base-Backbone interact. energy: -5.327
local terms energy: -803.395109
where:
bonds (distance) C4'-P energy: -147.404
bonds (distance) P-C4' energy: -158.788
flat angles C4'-P-C4' energy: -186.615
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -209.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2189.980523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.980523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.980523 (E_RNA)
where:
Base-Base interactions energy: -1437.712
where: short stacking energy: -637.910
Base-Backbone interact. energy: 1.053
local terms energy: -753.321983
where:
bonds (distance) C4'-P energy: -153.493
bonds (distance) P-C4' energy: -160.309
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -94.047
tors. eta vs tors. theta energy: -181.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1598.624656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.624656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.624656 (E_RNA)
where:
Base-Base interactions energy: -956.634
where: short stacking energy: -450.889
Base-Backbone interact. energy: -4.690
local terms energy: -637.301017
where:
bonds (distance) C4'-P energy: -151.667
bonds (distance) P-C4' energy: -168.471
flat angles C4'-P-C4' energy: -147.593
flat angles P-C4'-P energy: -86.257
tors. eta vs tors. theta energy: -83.314
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: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1283.131554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.131554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.131554 (E_RNA)
where:
Base-Base interactions energy: -712.007
where: short stacking energy: -341.430
Base-Backbone interact. energy: -0.257
local terms energy: -570.867598
where:
bonds (distance) C4'-P energy: -139.752
bonds (distance) P-C4' energy: -171.837
flat angles C4'-P-C4' energy: -145.109
flat angles P-C4'-P energy: -73.481
tors. eta vs tors. theta energy: -40.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -959.558683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.558683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.558683 (E_RNA)
where:
Base-Base interactions energy: -454.713
where: short stacking energy: -273.726
Base-Backbone interact. energy: 5.040
local terms energy: -509.886099
where:
bonds (distance) C4'-P energy: -135.466
bonds (distance) P-C4' energy: -169.800
flat angles C4'-P-C4' energy: -132.864
flat angles P-C4'-P energy: -69.195
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -887.851699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.851699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.851699 (E_RNA)
where:
Base-Base interactions energy: -447.326
where: short stacking energy: -231.433
Base-Backbone interact. energy: -0.859
local terms energy: -439.666925
where:
bonds (distance) C4'-P energy: -115.371
bonds (distance) P-C4' energy: -136.928
flat angles C4'-P-C4' energy: -122.265
flat angles P-C4'-P energy: -82.895
tors. eta vs tors. theta energy: 17.792
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -3013.871393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.871393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.871393 (E_RNA)
where:
Base-Base interactions energy: -2048.470
where: short stacking energy: -861.829
Base-Backbone interact. energy: -6.646
local terms energy: -958.755028
where:
bonds (distance) C4'-P energy: -176.500
bonds (distance) P-C4' energy: -179.904
flat angles C4'-P-C4' energy: -205.274
flat angles P-C4'-P energy: -135.751
tors. eta vs tors. theta energy: -261.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2987.855185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.855185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.855185 (E_RNA)
where:
Base-Base interactions energy: -2065.557
where: short stacking energy: -917.977
Base-Backbone interact. energy: -2.629
local terms energy: -919.669817
where:
bonds (distance) C4'-P energy: -156.189
bonds (distance) P-C4' energy: -161.111
flat angles C4'-P-C4' energy: -193.951
flat angles P-C4'-P energy: -130.310
tors. eta vs tors. theta energy: -278.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2769.402055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.402055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.402055 (E_RNA)
where:
Base-Base interactions energy: -1888.128
where: short stacking energy: -790.579
Base-Backbone interact. energy: -1.943
local terms energy: -879.330678
where:
bonds (distance) C4'-P energy: -160.946
bonds (distance) P-C4' energy: -167.225
flat angles C4'-P-C4' energy: -186.602
flat angles P-C4'-P energy: -134.063
tors. eta vs tors. theta energy: -230.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2682.228065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.228065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.228065 (E_RNA)
where:
Base-Base interactions energy: -1817.188
where: short stacking energy: -772.666
Base-Backbone interact. energy: 3.519
local terms energy: -868.558742
where:
bonds (distance) C4'-P energy: -155.296
bonds (distance) P-C4' energy: -168.458
flat angles C4'-P-C4' energy: -214.965
flat angles P-C4'-P energy: -120.117
tors. eta vs tors. theta energy: -209.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2395.258704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.258704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.258704 (E_RNA)
where:
Base-Base interactions energy: -1564.463
where: short stacking energy: -704.666
Base-Backbone interact. energy: -3.447
local terms energy: -827.348898
where:
bonds (distance) C4'-P energy: -171.906
bonds (distance) P-C4' energy: -160.667
flat angles C4'-P-C4' energy: -187.120
flat angles P-C4'-P energy: -117.850
tors. eta vs tors. theta energy: -189.806
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: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2199.063220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.063220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.063220 (E_RNA)
where:
Base-Base interactions energy: -1446.433
where: short stacking energy: -615.596
Base-Backbone interact. energy: -2.533
local terms energy: -750.096620
where:
bonds (distance) C4'-P energy: -162.925
bonds (distance) P-C4' energy: -145.099
flat angles C4'-P-C4' energy: -169.781
flat angles P-C4'-P energy: -126.462
tors. eta vs tors. theta energy: -145.829
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1589.520377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.520377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.520377 (E_RNA)
where:
Base-Base interactions energy: -983.554
where: short stacking energy: -487.475
Base-Backbone interact. energy: 0.629
local terms energy: -606.595501
where:
bonds (distance) C4'-P energy: -133.403
bonds (distance) P-C4' energy: -149.122
flat angles C4'-P-C4' energy: -153.767
flat angles P-C4'-P energy: -72.795
tors. eta vs tors. theta energy: -97.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1287.427602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.427602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.427602 (E_RNA)
where:
Base-Base interactions energy: -707.402
where: short stacking energy: -333.098
Base-Backbone interact. energy: -1.296
local terms energy: -578.728883
where:
bonds (distance) C4'-P energy: -153.501
bonds (distance) P-C4' energy: -170.271
flat angles C4'-P-C4' energy: -154.364
flat angles P-C4'-P energy: -75.010
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -911.884962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.884962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.884962 (E_RNA)
where:
Base-Base interactions energy: -467.351
where: short stacking energy: -273.765
Base-Backbone interact. energy: 4.515
local terms energy: -449.048501
where:
bonds (distance) C4'-P energy: -141.539
bonds (distance) P-C4' energy: -139.633
flat angles C4'-P-C4' energy: -118.971
flat angles P-C4'-P energy: -55.988
tors. eta vs tors. theta energy: 7.083
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: 156
Temperature: 1.350000
Total energy: -864.775998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.775998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.775998 (E_RNA)
where:
Base-Base interactions energy: -424.420
where: short stacking energy: -219.806
Base-Backbone interact. energy: -0.023
local terms energy: -440.332745
where:
bonds (distance) C4'-P energy: -134.711
bonds (distance) P-C4' energy: -142.700
flat angles C4'-P-C4' energy: -117.486
flat angles P-C4'-P energy: -64.768
tors. eta vs tors. theta energy: 19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -3032.862827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.862827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.862827 (E_RNA)
where:
Base-Base interactions energy: -2091.437
where: short stacking energy: -857.826
Base-Backbone interact. energy: -9.536
local terms energy: -931.889272
where:
bonds (distance) C4'-P energy: -180.644
bonds (distance) P-C4' energy: -181.989
flat angles C4'-P-C4' energy: -198.653
flat angles P-C4'-P energy: -115.308
tors. eta vs tors. theta energy: -255.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2939.626560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.626560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.626560 (E_RNA)
where:
Base-Base interactions energy: -2007.050
where: short stacking energy: -868.408
Base-Backbone interact. energy: 0.024
local terms energy: -932.601312
where:
bonds (distance) C4'-P energy: -177.897
bonds (distance) P-C4' energy: -168.400
flat angles C4'-P-C4' energy: -199.588
flat angles P-C4'-P energy: -127.371
tors. eta vs tors. theta energy: -259.346
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: 157
Temperature: 1.000000
Total energy: -2802.760850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.760850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.760850 (E_RNA)
where:
Base-Base interactions energy: -1886.805
where: short stacking energy: -819.979
Base-Backbone interact. energy: -5.480
local terms energy: -910.475278
where:
bonds (distance) C4'-P energy: -173.019
bonds (distance) P-C4' energy: -171.027
flat angles C4'-P-C4' energy: -193.887
flat angles P-C4'-P energy: -132.208
tors. eta vs tors. theta energy: -240.334
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: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2681.875086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.875086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.875086 (E_RNA)
where:
Base-Base interactions energy: -1827.089
where: short stacking energy: -747.784
Base-Backbone interact. energy: -1.265
local terms energy: -853.521096
where:
bonds (distance) C4'-P energy: -158.788
bonds (distance) P-C4' energy: -156.263
flat angles C4'-P-C4' energy: -201.576
flat angles P-C4'-P energy: -121.693
tors. eta vs tors. theta energy: -215.201
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: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2375.751704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.751704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.751704 (E_RNA)
where:
Base-Base interactions energy: -1569.559
where: short stacking energy: -720.059
Base-Backbone interact. energy: -2.537
local terms energy: -803.655577
where:
bonds (distance) C4'-P energy: -174.864
bonds (distance) P-C4' energy: -166.083
flat angles C4'-P-C4' energy: -162.730
flat angles P-C4'-P energy: -104.942
tors. eta vs tors. theta energy: -195.037
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: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2212.904230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.904230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.904230 (E_RNA)
where:
Base-Base interactions energy: -1441.430
where: short stacking energy: -647.168
Base-Backbone interact. energy: -1.496
local terms energy: -769.978184
where:
bonds (distance) C4'-P energy: -152.742
bonds (distance) P-C4' energy: -172.900
flat angles C4'-P-C4' energy: -173.677
flat angles P-C4'-P energy: -111.551
tors. eta vs tors. theta energy: -159.108
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: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1648.250031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.250031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.250031 (E_RNA)
where:
Base-Base interactions energy: -1000.089
where: short stacking energy: -475.504
Base-Backbone interact. energy: -1.271
local terms energy: -646.889955
where:
bonds (distance) C4'-P energy: -150.955
bonds (distance) P-C4' energy: -170.803
flat angles C4'-P-C4' energy: -144.276
flat angles P-C4'-P energy: -94.324
tors. eta vs tors. theta energy: -86.532
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: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1280.626734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.626734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.626734 (E_RNA)
where:
Base-Base interactions energy: -727.073
where: short stacking energy: -375.628
Base-Backbone interact. energy: 0.557
local terms energy: -554.110480
where:
bonds (distance) C4'-P energy: -141.689
bonds (distance) P-C4' energy: -168.909
flat angles C4'-P-C4' energy: -122.965
flat angles P-C4'-P energy: -100.949
tors. eta vs tors. theta energy: -19.597
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -944.241516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.241516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.241516 (E_RNA)
where:
Base-Base interactions energy: -479.927
where: short stacking energy: -251.749
Base-Backbone interact. energy: -4.462
local terms energy: -459.852876
where:
bonds (distance) C4'-P energy: -150.716
bonds (distance) P-C4' energy: -129.595
flat angles C4'-P-C4' energy: -125.362
flat angles P-C4'-P energy: -79.531
tors. eta vs tors. theta energy: 25.352
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: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -827.277947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.277947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.277947 (E_RNA)
where:
Base-Base interactions energy: -397.818
where: short stacking energy: -254.815
Base-Backbone interact. energy: 10.861
local terms energy: -440.321048
where:
bonds (distance) C4'-P energy: -141.042
bonds (distance) P-C4' energy: -130.787
flat angles C4'-P-C4' energy: -142.322
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: 18.592
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: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -3001.973804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.973804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.973804 (E_RNA)
where:
Base-Base interactions energy: -2052.038
where: short stacking energy: -854.655
Base-Backbone interact. energy: -7.102
local terms energy: -942.833357
where:
bonds (distance) C4'-P energy: -177.788
bonds (distance) P-C4' energy: -176.241
flat angles C4'-P-C4' energy: -214.634
flat angles P-C4'-P energy: -127.222
tors. eta vs tors. theta energy: -246.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2957.706169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.706169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.706169 (E_RNA)
where:
Base-Base interactions energy: -2037.306
where: short stacking energy: -886.246
Base-Backbone interact. energy: -1.334
local terms energy: -919.065608
where:
bonds (distance) C4'-P energy: -172.811
bonds (distance) P-C4' energy: -154.684
flat angles C4'-P-C4' energy: -204.237
flat angles P-C4'-P energy: -126.310
tors. eta vs tors. theta energy: -261.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2802.243988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.243988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.243988 (E_RNA)
where:
Base-Base interactions energy: -1907.879
where: short stacking energy: -776.331
Base-Backbone interact. energy: -8.374
local terms energy: -885.991383
where:
bonds (distance) C4'-P energy: -171.093
bonds (distance) P-C4' energy: -171.479
flat angles C4'-P-C4' energy: -176.774
flat angles P-C4'-P energy: -132.543
tors. eta vs tors. theta energy: -234.103
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: 158
Temperature: 1.050000
Total energy: -2663.741972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.741972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.741972 (E_RNA)
where:
Base-Base interactions energy: -1816.545
where: short stacking energy: -727.840
Base-Backbone interact. energy: 0.628
local terms energy: -847.825055
where:
bonds (distance) C4'-P energy: -184.661
bonds (distance) P-C4' energy: -171.227
flat angles C4'-P-C4' energy: -160.499
flat angles P-C4'-P energy: -122.674
tors. eta vs tors. theta energy: -208.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2343.754001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.754001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.754001 (E_RNA)
where:
Base-Base interactions energy: -1536.790
where: short stacking energy: -693.738
Base-Backbone interact. energy: -4.254
local terms energy: -802.710362
where:
bonds (distance) C4'-P energy: -182.631
bonds (distance) P-C4' energy: -159.804
flat angles C4'-P-C4' energy: -170.971
flat angles P-C4'-P energy: -109.783
tors. eta vs tors. theta energy: -179.522
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: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2176.659078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.659078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.659078 (E_RNA)
where:
Base-Base interactions energy: -1410.718
where: short stacking energy: -603.906
Base-Backbone interact. energy: -3.925
local terms energy: -762.015392
where:
bonds (distance) C4'-P energy: -143.320
bonds (distance) P-C4' energy: -179.644
flat angles C4'-P-C4' energy: -175.591
flat angles P-C4'-P energy: -110.496
tors. eta vs tors. theta energy: -152.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1652.749045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.749045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.749045 (E_RNA)
where:
Base-Base interactions energy: -1012.449
where: short stacking energy: -471.798
Base-Backbone interact. energy: -3.598
local terms energy: -636.702453
where:
bonds (distance) C4'-P energy: -147.724
bonds (distance) P-C4' energy: -151.629
flat angles C4'-P-C4' energy: -148.616
flat angles P-C4'-P energy: -95.284
tors. eta vs tors. theta energy: -93.449
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: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1251.258631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.258631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.258631 (E_RNA)
where:
Base-Base interactions energy: -692.241
where: short stacking energy: -350.293
Base-Backbone interact. energy: 2.236
local terms energy: -561.253875
where:
bonds (distance) C4'-P energy: -147.123
bonds (distance) P-C4' energy: -143.431
flat angles C4'-P-C4' energy: -138.150
flat angles P-C4'-P energy: -88.426
tors. eta vs tors. theta energy: -44.124
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: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -928.573925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.573925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.573925 (E_RNA)
where:
Base-Base interactions energy: -434.756
where: short stacking energy: -279.148
Base-Backbone interact. energy: 3.095
local terms energy: -496.912775
where:
bonds (distance) C4'-P energy: -133.184
bonds (distance) P-C4' energy: -131.243
flat angles C4'-P-C4' energy: -139.086
flat angles P-C4'-P energy: -86.606
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -751.420493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.420493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.420493 (E_RNA)
where:
Base-Base interactions energy: -278.696
where: short stacking energy: -209.902
Base-Backbone interact. energy: -1.669
local terms energy: -471.055149
where:
bonds (distance) C4'-P energy: -129.835
bonds (distance) P-C4' energy: -137.080
flat angles C4'-P-C4' energy: -144.751
flat angles P-C4'-P energy: -87.948
tors. eta vs tors. theta energy: 28.558
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: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2991.026101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.026101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.026101 (E_RNA)
where:
Base-Base interactions energy: -2078.268
where: short stacking energy: -862.110
Base-Backbone interact. energy: -5.089
local terms energy: -907.668573
where:
bonds (distance) C4'-P energy: -177.184
bonds (distance) P-C4' energy: -178.685
flat angles C4'-P-C4' energy: -195.905
flat angles P-C4'-P energy: -112.396
tors. eta vs tors. theta energy: -243.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2946.269447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.269447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.269447 (E_RNA)
where:
Base-Base interactions energy: -2040.725
where: short stacking energy: -853.638
Base-Backbone interact. energy: -1.963
local terms energy: -903.581086
where:
bonds (distance) C4'-P energy: -169.989
bonds (distance) P-C4' energy: -172.211
flat angles C4'-P-C4' energy: -186.811
flat angles P-C4'-P energy: -114.960
tors. eta vs tors. theta energy: -259.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2799.048497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.048497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.048497 (E_RNA)
where:
Base-Base interactions energy: -1933.337
where: short stacking energy: -804.352
Base-Backbone interact. energy: -2.736
local terms energy: -862.975985
where:
bonds (distance) C4'-P energy: -155.681
bonds (distance) P-C4' energy: -165.185
flat angles C4'-P-C4' energy: -190.807
flat angles P-C4'-P energy: -125.670
tors. eta vs tors. theta energy: -225.633
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: 159
Temperature: 1.050000
Total energy: -2662.091776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.091776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.091776 (E_RNA)
where:
Base-Base interactions energy: -1817.009
where: short stacking energy: -743.722
Base-Backbone interact. energy: -1.861
local terms energy: -843.221641
where:
bonds (distance) C4'-P energy: -154.199
bonds (distance) P-C4' energy: -168.306
flat angles C4'-P-C4' energy: -183.259
flat angles P-C4'-P energy: -124.129
tors. eta vs tors. theta energy: -213.329
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: 159
Temperature: 1.100000
Total energy: -2286.024949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.024949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.024949 (E_RNA)
where:
Base-Base interactions energy: -1506.037
where: short stacking energy: -672.954
Base-Backbone interact. energy: -3.004
local terms energy: -776.983824
where:
bonds (distance) C4'-P energy: -144.489
bonds (distance) P-C4' energy: -160.599
flat angles C4'-P-C4' energy: -165.892
flat angles P-C4'-P energy: -125.410
tors. eta vs tors. theta energy: -180.593
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: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2264.896196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.896196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.896196 (E_RNA)
where:
Base-Base interactions energy: -1452.145
where: short stacking energy: -640.780
Base-Backbone interact. energy: 0.151
local terms energy: -812.902554
where:
bonds (distance) C4'-P energy: -152.557
bonds (distance) P-C4' energy: -177.942
flat angles C4'-P-C4' energy: -190.423
flat angles P-C4'-P energy: -110.292
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1657.757384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.757384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.757384 (E_RNA)
where:
Base-Base interactions energy: -1023.390
where: short stacking energy: -478.293
Base-Backbone interact. energy: 3.868
local terms energy: -638.235477
where:
bonds (distance) C4'-P energy: -158.706
bonds (distance) P-C4' energy: -157.374
flat angles C4'-P-C4' energy: -156.601
flat angles P-C4'-P energy: -84.357
tors. eta vs tors. theta energy: -81.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1250.563400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.563400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.563400 (E_RNA)
where:
Base-Base interactions energy: -708.047
where: short stacking energy: -357.312
Base-Backbone interact. energy: -3.119
local terms energy: -539.397656
where:
bonds (distance) C4'-P energy: -124.011
bonds (distance) P-C4' energy: -154.796
flat angles C4'-P-C4' energy: -126.192
flat angles P-C4'-P energy: -91.949
tors. eta vs tors. theta energy: -42.450
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: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -936.023876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.023876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.023876 (E_RNA)
where:
Base-Base interactions energy: -448.105
where: short stacking energy: -256.384
Base-Backbone interact. energy: -2.028
local terms energy: -485.890954
where:
bonds (distance) C4'-P energy: -139.394
bonds (distance) P-C4' energy: -155.226
flat angles C4'-P-C4' energy: -129.454
flat angles P-C4'-P energy: -69.338
tors. eta vs tors. theta energy: 7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -807.589933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.589933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.589933 (E_RNA)
where:
Base-Base interactions energy: -356.683
where: short stacking energy: -224.596
Base-Backbone interact. energy: 2.142
local terms energy: -453.049622
where:
bonds (distance) C4'-P energy: -145.136
bonds (distance) P-C4' energy: -150.826
flat angles C4'-P-C4' energy: -111.907
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: 15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -3011.979025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.979025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.979025 (E_RNA)
where:
Base-Base interactions energy: -2083.117
where: short stacking energy: -843.098
Base-Backbone interact. energy: -4.731
local terms energy: -924.131225
where:
bonds (distance) C4'-P energy: -184.260
bonds (distance) P-C4' energy: -167.644
flat angles C4'-P-C4' energy: -209.880
flat angles P-C4'-P energy: -120.800
tors. eta vs tors. theta energy: -241.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2973.785751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2973.785751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.785751 (E_RNA)
where:
Base-Base interactions energy: -2026.423
where: short stacking energy: -851.989
Base-Backbone interact. energy: -2.967
local terms energy: -944.396428
where:
bonds (distance) C4'-P energy: -176.694
bonds (distance) P-C4' energy: -179.686
flat angles C4'-P-C4' energy: -204.034
flat angles P-C4'-P energy: -126.827
tors. eta vs tors. theta energy: -257.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2764.268927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.268927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.268927 (E_RNA)
where:
Base-Base interactions energy: -1890.947
where: short stacking energy: -766.118
Base-Backbone interact. energy: -5.315
local terms energy: -868.006790
where:
bonds (distance) C4'-P energy: -165.163
bonds (distance) P-C4' energy: -174.525
flat angles C4'-P-C4' energy: -185.509
flat angles P-C4'-P energy: -119.510
tors. eta vs tors. theta energy: -223.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2635.601300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.601300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.601300 (E_RNA)
where:
Base-Base interactions energy: -1803.962
where: short stacking energy: -744.805
Base-Backbone interact. energy: 4.285
local terms energy: -835.924123
where:
bonds (distance) C4'-P energy: -148.625
bonds (distance) P-C4' energy: -165.149
flat angles C4'-P-C4' energy: -171.871
flat angles P-C4'-P energy: -138.462
tors. eta vs tors. theta energy: -211.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2312.394055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.394055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.394055 (E_RNA)
where:
Base-Base interactions energy: -1543.414
where: short stacking energy: -707.613
Base-Backbone interact. energy: -3.572
local terms energy: -765.407835
where:
bonds (distance) C4'-P energy: -145.129
bonds (distance) P-C4' energy: -165.604
flat angles C4'-P-C4' energy: -164.179
flat angles P-C4'-P energy: -99.343
tors. eta vs tors. theta energy: -191.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2258.891042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.891042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.891042 (E_RNA)
where:
Base-Base interactions energy: -1483.789
where: short stacking energy: -672.498
Base-Backbone interact. energy: -2.548
local terms energy: -772.553729
where:
bonds (distance) C4'-P energy: -157.333
bonds (distance) P-C4' energy: -167.242
flat angles C4'-P-C4' energy: -166.852
flat angles P-C4'-P energy: -107.820
tors. eta vs tors. theta energy: -173.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1692.351204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.351204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.351204 (E_RNA)
where:
Base-Base interactions energy: -1050.079
where: short stacking energy: -480.855
Base-Backbone interact. energy: -0.572
local terms energy: -641.700603
where:
bonds (distance) C4'-P energy: -143.868
bonds (distance) P-C4' energy: -160.143
flat angles C4'-P-C4' energy: -148.473
flat angles P-C4'-P energy: -106.194
tors. eta vs tors. theta energy: -83.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1280.278009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.278009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.278009 (E_RNA)
where:
Base-Base interactions energy: -698.395
where: short stacking energy: -367.111
Base-Backbone interact. energy: 2.951
local terms energy: -584.833794
where:
bonds (distance) C4'-P energy: -143.516
bonds (distance) P-C4' energy: -174.523
flat angles C4'-P-C4' energy: -136.978
flat angles P-C4'-P energy: -93.640
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -902.677193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.677193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.677193 (E_RNA)
where:
Base-Base interactions energy: -363.531
where: short stacking energy: -241.145
Base-Backbone interact. energy: -0.982
local terms energy: -538.163707
where:
bonds (distance) C4'-P energy: -130.441
bonds (distance) P-C4' energy: -151.174
flat angles C4'-P-C4' energy: -147.950
flat angles P-C4'-P energy: -87.351
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -810.741173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.741173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.741173 (E_RNA)
where:
Base-Base interactions energy: -368.503
where: short stacking energy: -244.340
Base-Backbone interact. energy: -2.316
local terms energy: -439.921893
where:
bonds (distance) C4'-P energy: -139.515
bonds (distance) P-C4' energy: -159.453
flat angles C4'-P-C4' energy: -117.070
flat angles P-C4'-P energy: -46.320
tors. eta vs tors. theta energy: 22.436
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: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -3025.289475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.289475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.289475 (E_RNA)
where:
Base-Base interactions energy: -2076.552
where: short stacking energy: -880.717
Base-Backbone interact. energy: -8.102
local terms energy: -940.635462
where:
bonds (distance) C4'-P energy: -167.806
bonds (distance) P-C4' energy: -187.941
flat angles C4'-P-C4' energy: -196.744
flat angles P-C4'-P energy: -132.375
tors. eta vs tors. theta energy: -255.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2982.777225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.777225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.777225 (E_RNA)
where:
Base-Base interactions energy: -2043.327
where: short stacking energy: -865.018
Base-Backbone interact. energy: -1.343
local terms energy: -938.107349
where:
bonds (distance) C4'-P energy: -170.710
bonds (distance) P-C4' energy: -172.230
flat angles C4'-P-C4' energy: -214.186
flat angles P-C4'-P energy: -115.185
tors. eta vs tors. theta energy: -265.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2767.035556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.035556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.035556 (E_RNA)
where:
Base-Base interactions energy: -1891.513
where: short stacking energy: -758.082
Base-Backbone interact. energy: -2.177
local terms energy: -873.345935
where:
bonds (distance) C4'-P energy: -162.763
bonds (distance) P-C4' energy: -169.544
flat angles C4'-P-C4' energy: -203.771
flat angles P-C4'-P energy: -120.660
tors. eta vs tors. theta energy: -216.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2642.591510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.591510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.591510 (E_RNA)
where:
Base-Base interactions energy: -1825.690
where: short stacking energy: -754.827
Base-Backbone interact. energy: -3.831
local terms energy: -813.071272
where:
bonds (distance) C4'-P energy: -134.530
bonds (distance) P-C4' energy: -166.827
flat angles C4'-P-C4' energy: -185.743
flat angles P-C4'-P energy: -117.418
tors. eta vs tors. theta energy: -208.554
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: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2306.203677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.203677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.203677 (E_RNA)
where:
Base-Base interactions energy: -1503.002
where: short stacking energy: -660.953
Base-Backbone interact. energy: -3.135
local terms energy: -800.066564
where:
bonds (distance) C4'-P energy: -164.162
bonds (distance) P-C4' energy: -182.869
flat angles C4'-P-C4' energy: -170.346
flat angles P-C4'-P energy: -108.327
tors. eta vs tors. theta energy: -174.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2224.967976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.967976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.967976 (E_RNA)
where:
Base-Base interactions energy: -1487.709
where: short stacking energy: -668.363
Base-Backbone interact. energy: 0.142
local terms energy: -737.401319
where:
bonds (distance) C4'-P energy: -153.230
bonds (distance) P-C4' energy: -139.559
flat angles C4'-P-C4' energy: -166.598
flat angles P-C4'-P energy: -96.275
tors. eta vs tors. theta energy: -181.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1653.179396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.179396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.179396 (E_RNA)
where:
Base-Base interactions energy: -988.773
where: short stacking energy: -451.357
Base-Backbone interact. energy: 2.871
local terms energy: -667.276649
where:
bonds (distance) C4'-P energy: -136.270
bonds (distance) P-C4' energy: -177.641
flat angles C4'-P-C4' energy: -166.372
flat angles P-C4'-P energy: -107.406
tors. eta vs tors. theta energy: -79.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1234.867687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.867687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.867687 (E_RNA)
where:
Base-Base interactions energy: -662.748
where: short stacking energy: -345.277
Base-Backbone interact. energy: 1.853
local terms energy: -573.973081
where:
bonds (distance) C4'-P energy: -145.329
bonds (distance) P-C4' energy: -167.705
flat angles C4'-P-C4' energy: -146.078
flat angles P-C4'-P energy: -73.675
tors. eta vs tors. theta energy: -41.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -987.697018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.697018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.697018 (E_RNA)
where:
Base-Base interactions energy: -530.814
where: short stacking energy: -301.422
Base-Backbone interact. energy: 7.162
local terms energy: -464.044598
where:
bonds (distance) C4'-P energy: -141.929
bonds (distance) P-C4' energy: -139.115
flat angles C4'-P-C4' energy: -123.845
flat angles P-C4'-P energy: -76.182
tors. eta vs tors. theta energy: 17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -789.077620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.077620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.077620 (E_RNA)
where:
Base-Base interactions energy: -322.969
where: short stacking energy: -219.755
Base-Backbone interact. energy: 1.158
local terms energy: -467.266547
where:
bonds (distance) C4'-P energy: -125.873
bonds (distance) P-C4' energy: -146.796
flat angles C4'-P-C4' energy: -132.584
flat angles P-C4'-P energy: -68.837
tors. eta vs tors. theta energy: 6.823
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: 162
Temperature: 0.900000
Total energy: -3019.885556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.885556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.885556 (E_RNA)
where:
Base-Base interactions energy: -2055.923
where: short stacking energy: -864.794
Base-Backbone interact. energy: -3.989
local terms energy: -959.973500
where:
bonds (distance) C4'-P energy: -175.211
bonds (distance) P-C4' energy: -190.512
flat angles C4'-P-C4' energy: -201.633
flat angles P-C4'-P energy: -133.237
tors. eta vs tors. theta energy: -259.381
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: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2968.514139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.514139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.514139 (E_RNA)
where:
Base-Base interactions energy: -2063.664
where: short stacking energy: -858.178
Base-Backbone interact. energy: -7.922
local terms energy: -896.928834
where:
bonds (distance) C4'-P energy: -171.038
bonds (distance) P-C4' energy: -178.449
flat angles C4'-P-C4' energy: -183.343
flat angles P-C4'-P energy: -114.501
tors. eta vs tors. theta energy: -249.598
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: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2747.814701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.814701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.814701 (E_RNA)
where:
Base-Base interactions energy: -1863.913
where: short stacking energy: -764.633
Base-Backbone interact. energy: 1.207
local terms energy: -885.109562
where:
bonds (distance) C4'-P energy: -177.285
bonds (distance) P-C4' energy: -178.520
flat angles C4'-P-C4' energy: -181.163
flat angles P-C4'-P energy: -120.602
tors. eta vs tors. theta energy: -227.539
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: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2677.752621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.752621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.752621 (E_RNA)
where:
Base-Base interactions energy: -1878.193
where: short stacking energy: -775.732
Base-Backbone interact. energy: -3.264
local terms energy: -796.295448
where:
bonds (distance) C4'-P energy: -151.430
bonds (distance) P-C4' energy: -145.302
flat angles C4'-P-C4' energy: -170.828
flat angles P-C4'-P energy: -110.226
tors. eta vs tors. theta energy: -218.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2280.240922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.240922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.240922 (E_RNA)
where:
Base-Base interactions energy: -1514.291
where: short stacking energy: -655.663
Base-Backbone interact. energy: -1.874
local terms energy: -764.075945
where:
bonds (distance) C4'-P energy: -156.500
bonds (distance) P-C4' energy: -157.539
flat angles C4'-P-C4' energy: -177.614
flat angles P-C4'-P energy: -98.621
tors. eta vs tors. theta energy: -173.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2188.411819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.411819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.411819 (E_RNA)
where:
Base-Base interactions energy: -1446.261
where: short stacking energy: -635.792
Base-Backbone interact. energy: -2.290
local terms energy: -739.860935
where:
bonds (distance) C4'-P energy: -137.333
bonds (distance) P-C4' energy: -147.763
flat angles C4'-P-C4' energy: -176.952
flat angles P-C4'-P energy: -113.647
tors. eta vs tors. theta energy: -164.166
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: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1662.671460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.671460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.671460 (E_RNA)
where:
Base-Base interactions energy: -1005.531
where: short stacking energy: -483.755
Base-Backbone interact. energy: 2.954
local terms energy: -660.093878
where:
bonds (distance) C4'-P energy: -165.406
bonds (distance) P-C4' energy: -159.754
flat angles C4'-P-C4' energy: -161.164
flat angles P-C4'-P energy: -86.269
tors. eta vs tors. theta energy: -87.501
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: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1242.660156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.660156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.660156 (E_RNA)
where:
Base-Base interactions energy: -692.769
where: short stacking energy: -334.655
Base-Backbone interact. energy: -0.545
local terms energy: -549.345739
where:
bonds (distance) C4'-P energy: -143.787
bonds (distance) P-C4' energy: -148.287
flat angles C4'-P-C4' energy: -148.235
flat angles P-C4'-P energy: -85.778
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1038.406008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.406008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.406008 (E_RNA)
where:
Base-Base interactions energy: -498.063
where: short stacking energy: -300.307
Base-Backbone interact. energy: -4.305
local terms energy: -536.038242
where:
bonds (distance) C4'-P energy: -149.089
bonds (distance) P-C4' energy: -154.551
flat angles C4'-P-C4' energy: -142.660
flat angles P-C4'-P energy: -55.839
tors. eta vs tors. theta energy: -33.899
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: 162
Temperature: 1.350000
Total energy: -819.608412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.608412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.608412 (E_RNA)
where:
Base-Base interactions energy: -367.585
where: short stacking energy: -249.645
Base-Backbone interact. energy: 1.269
local terms energy: -453.291663
where:
bonds (distance) C4'-P energy: -150.223
bonds (distance) P-C4' energy: -136.383
flat angles C4'-P-C4' energy: -119.419
flat angles P-C4'-P energy: -55.045
tors. eta vs tors. theta energy: 7.778
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -3049.879012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.879012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.879012 (E_RNA)
where:
Base-Base interactions energy: -2101.455
where: short stacking energy: -874.318
Base-Backbone interact. energy: 4.178
local terms energy: -952.602063
where:
bonds (distance) C4'-P energy: -167.304
bonds (distance) P-C4' energy: -191.397
flat angles C4'-P-C4' energy: -203.607
flat angles P-C4'-P energy: -131.097
tors. eta vs tors. theta energy: -259.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2906.366629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.366629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.366629 (E_RNA)
where:
Base-Base interactions energy: -1955.837
where: short stacking energy: -834.341
Base-Backbone interact. energy: -7.660
local terms energy: -942.869774
where:
bonds (distance) C4'-P energy: -183.355
bonds (distance) P-C4' energy: -179.994
flat angles C4'-P-C4' energy: -214.326
flat angles P-C4'-P energy: -124.899
tors. eta vs tors. theta energy: -240.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2767.612114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.612114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.612114 (E_RNA)
where:
Base-Base interactions energy: -1897.323
where: short stacking energy: -784.020
Base-Backbone interact. energy: -2.736
local terms energy: -867.553031
where:
bonds (distance) C4'-P energy: -177.365
bonds (distance) P-C4' energy: -165.016
flat angles C4'-P-C4' energy: -187.903
flat angles P-C4'-P energy: -123.980
tors. eta vs tors. theta energy: -213.289
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: 163
Temperature: 1.050000
Total energy: -2657.000056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.000056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.000056 (E_RNA)
where:
Base-Base interactions energy: -1799.499
where: short stacking energy: -757.840
Base-Backbone interact. energy: 0.033
local terms energy: -857.534152
where:
bonds (distance) C4'-P energy: -160.645
bonds (distance) P-C4' energy: -159.939
flat angles C4'-P-C4' energy: -199.015
flat angles P-C4'-P energy: -122.543
tors. eta vs tors. theta energy: -215.392
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: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2311.457864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.457864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.457864 (E_RNA)
where:
Base-Base interactions energy: -1522.282
where: short stacking energy: -705.465
Base-Backbone interact. energy: -1.583
local terms energy: -787.592462
where:
bonds (distance) C4'-P energy: -150.548
bonds (distance) P-C4' energy: -155.475
flat angles C4'-P-C4' energy: -171.058
flat angles P-C4'-P energy: -133.179
tors. eta vs tors. theta energy: -177.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2171.304885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.304885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.304885 (E_RNA)
where:
Base-Base interactions energy: -1434.302
where: short stacking energy: -590.407
Base-Backbone interact. energy: 1.642
local terms energy: -738.645598
where:
bonds (distance) C4'-P energy: -149.696
bonds (distance) P-C4' energy: -146.463
flat angles C4'-P-C4' energy: -169.478
flat angles P-C4'-P energy: -111.929
tors. eta vs tors. theta energy: -161.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1683.384253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.384253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.384253 (E_RNA)
where:
Base-Base interactions energy: -1039.606
where: short stacking energy: -468.901
Base-Backbone interact. energy: -7.946
local terms energy: -635.832762
where:
bonds (distance) C4'-P energy: -136.051
bonds (distance) P-C4' energy: -172.672
flat angles C4'-P-C4' energy: -154.839
flat angles P-C4'-P energy: -93.716
tors. eta vs tors. theta energy: -78.555
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: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1252.851085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.851085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.851085 (E_RNA)
where:
Base-Base interactions energy: -672.384
where: short stacking energy: -364.420
Base-Backbone interact. energy: 2.575
local terms energy: -583.042079
where:
bonds (distance) C4'-P energy: -153.959
bonds (distance) P-C4' energy: -167.730
flat angles C4'-P-C4' energy: -139.763
flat angles P-C4'-P energy: -93.724
tors. eta vs tors. theta energy: -27.866
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: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1022.179577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.179577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.179577 (E_RNA)
where:
Base-Base interactions energy: -556.178
where: short stacking energy: -303.240
Base-Backbone interact. energy: -3.189
local terms energy: -462.812965
where:
bonds (distance) C4'-P energy: -111.297
bonds (distance) P-C4' energy: -154.913
flat angles C4'-P-C4' energy: -111.345
flat angles P-C4'-P energy: -64.409
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -757.085870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.085870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.085870 (E_RNA)
where:
Base-Base interactions energy: -288.354
where: short stacking energy: -194.282
Base-Backbone interact. energy: 0.106
local terms energy: -468.838341
where:
bonds (distance) C4'-P energy: -135.180
bonds (distance) P-C4' energy: -145.118
flat angles C4'-P-C4' energy: -138.342
flat angles P-C4'-P energy: -81.425
tors. eta vs tors. theta energy: 31.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -3068.026122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3068.026122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3068.026122 (E_RNA)
where:
Base-Base interactions energy: -2112.352
where: short stacking energy: -857.834
Base-Backbone interact. energy: 3.617
local terms energy: -959.290881
where:
bonds (distance) C4'-P energy: -172.414
bonds (distance) P-C4' energy: -196.491
flat angles C4'-P-C4' energy: -201.236
flat angles P-C4'-P energy: -126.587
tors. eta vs tors. theta energy: -262.563
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: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2904.584288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.584288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.584288 (E_RNA)
where:
Base-Base interactions energy: -1976.317
where: short stacking energy: -846.389
Base-Backbone interact. energy: -6.619
local terms energy: -921.649132
where:
bonds (distance) C4'-P energy: -180.396
bonds (distance) P-C4' energy: -176.556
flat angles C4'-P-C4' energy: -189.615
flat angles P-C4'-P energy: -134.483
tors. eta vs tors. theta energy: -240.599
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: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2754.521792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.521792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.521792 (E_RNA)
where:
Base-Base interactions energy: -1851.676
where: short stacking energy: -780.174
Base-Backbone interact. energy: -0.414
local terms energy: -902.431596
where:
bonds (distance) C4'-P energy: -174.595
bonds (distance) P-C4' energy: -179.410
flat angles C4'-P-C4' energy: -177.771
flat angles P-C4'-P energy: -143.772
tors. eta vs tors. theta energy: -226.885
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: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2597.048202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.048202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.048202 (E_RNA)
where:
Base-Base interactions energy: -1742.597
where: short stacking energy: -760.306
Base-Backbone interact. energy: -5.003
local terms energy: -849.448420
where:
bonds (distance) C4'-P energy: -149.835
bonds (distance) P-C4' energy: -167.958
flat angles C4'-P-C4' energy: -186.240
flat angles P-C4'-P energy: -125.497
tors. eta vs tors. theta energy: -219.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2276.114910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.114910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.114910 (E_RNA)
where:
Base-Base interactions energy: -1488.657
where: short stacking energy: -678.192
Base-Backbone interact. energy: -5.633
local terms energy: -781.824345
where:
bonds (distance) C4'-P energy: -150.118
bonds (distance) P-C4' energy: -149.808
flat angles C4'-P-C4' energy: -188.917
flat angles P-C4'-P energy: -117.854
tors. eta vs tors. theta energy: -175.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2177.379502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.379502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.379502 (E_RNA)
where:
Base-Base interactions energy: -1401.222
where: short stacking energy: -601.052
Base-Backbone interact. energy: 2.664
local terms energy: -778.821292
where:
bonds (distance) C4'-P energy: -157.145
bonds (distance) P-C4' energy: -173.915
flat angles C4'-P-C4' energy: -157.813
flat angles P-C4'-P energy: -128.558
tors. eta vs tors. theta energy: -161.391
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: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1755.341248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.341248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.341248 (E_RNA)
where:
Base-Base interactions energy: -1066.891
where: short stacking energy: -518.621
Base-Backbone interact. energy: -2.484
local terms energy: -685.966790
where:
bonds (distance) C4'-P energy: -146.725
bonds (distance) P-C4' energy: -172.546
flat angles C4'-P-C4' energy: -164.353
flat angles P-C4'-P energy: -99.682
tors. eta vs tors. theta energy: -102.661
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: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1216.821504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.821504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.821504 (E_RNA)
where:
Base-Base interactions energy: -691.566
where: short stacking energy: -338.553
Base-Backbone interact. energy: 1.589
local terms energy: -526.844914
where:
bonds (distance) C4'-P energy: -136.325
bonds (distance) P-C4' energy: -148.069
flat angles C4'-P-C4' energy: -141.096
flat angles P-C4'-P energy: -74.994
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1017.933426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.933426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.933426 (E_RNA)
where:
Base-Base interactions energy: -518.217
where: short stacking energy: -287.268
Base-Backbone interact. energy: 3.668
local terms energy: -503.384299
where:
bonds (distance) C4'-P energy: -143.598
bonds (distance) P-C4' energy: -169.218
flat angles C4'-P-C4' energy: -109.271
flat angles P-C4'-P energy: -86.223
tors. eta vs tors. theta energy: 4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -724.183209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.183209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.183209 (E_RNA)
where:
Base-Base interactions energy: -255.458
where: short stacking energy: -184.903
Base-Backbone interact. energy: -1.204
local terms energy: -467.521285
where:
bonds (distance) C4'-P energy: -146.937
bonds (distance) P-C4' energy: -171.949
flat angles C4'-P-C4' energy: -117.742
flat angles P-C4'-P energy: -65.025
tors. eta vs tors. theta energy: 34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -3061.457789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.457789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.457789 (E_RNA)
where:
Base-Base interactions energy: -2092.993
where: short stacking energy: -889.352
Base-Backbone interact. energy: 1.139
local terms energy: -969.603607
where:
bonds (distance) C4'-P energy: -176.803
bonds (distance) P-C4' energy: -190.787
flat angles C4'-P-C4' energy: -201.375
flat angles P-C4'-P energy: -130.824
tors. eta vs tors. theta energy: -269.814
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: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2935.159884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.159884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.159884 (E_RNA)
where:
Base-Base interactions energy: -1994.814
where: short stacking energy: -821.749
Base-Backbone interact. energy: -7.728
local terms energy: -932.617745
where:
bonds (distance) C4'-P energy: -191.185
bonds (distance) P-C4' energy: -187.466
flat angles C4'-P-C4' energy: -189.403
flat angles P-C4'-P energy: -129.939
tors. eta vs tors. theta energy: -234.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2732.926925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.926925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.926925 (E_RNA)
where:
Base-Base interactions energy: -1874.893
where: short stacking energy: -819.137
Base-Backbone interact. energy: -1.515
local terms energy: -856.518874
where:
bonds (distance) C4'-P energy: -150.917
bonds (distance) P-C4' energy: -156.446
flat angles C4'-P-C4' energy: -183.615
flat angles P-C4'-P energy: -125.524
tors. eta vs tors. theta energy: -240.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2612.301564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.301564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.301564 (E_RNA)
where:
Base-Base interactions energy: -1761.688
where: short stacking energy: -732.005
Base-Backbone interact. energy: -3.729
local terms energy: -846.884868
where:
bonds (distance) C4'-P energy: -155.278
bonds (distance) P-C4' energy: -179.060
flat angles C4'-P-C4' energy: -179.140
flat angles P-C4'-P energy: -116.968
tors. eta vs tors. theta energy: -216.439
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: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2343.748577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.748577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.748577 (E_RNA)
where:
Base-Base interactions energy: -1562.083
where: short stacking energy: -644.797
Base-Backbone interact. energy: -3.803
local terms energy: -777.863067
where:
bonds (distance) C4'-P energy: -156.860
bonds (distance) P-C4' energy: -154.537
flat angles C4'-P-C4' energy: -175.343
flat angles P-C4'-P energy: -110.780
tors. eta vs tors. theta energy: -180.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2205.400050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.400050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.400050 (E_RNA)
where:
Base-Base interactions energy: -1444.017
where: short stacking energy: -611.196
Base-Backbone interact. energy: 2.155
local terms energy: -763.538113
where:
bonds (distance) C4'-P energy: -142.724
bonds (distance) P-C4' energy: -168.557
flat angles C4'-P-C4' energy: -181.082
flat angles P-C4'-P energy: -116.032
tors. eta vs tors. theta energy: -155.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1762.327725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.327725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.327725 (E_RNA)
where:
Base-Base interactions energy: -1100.040
where: short stacking energy: -499.181
Base-Backbone interact. energy: 1.392
local terms energy: -663.679176
where:
bonds (distance) C4'-P energy: -150.746
bonds (distance) P-C4' energy: -169.936
flat angles C4'-P-C4' energy: -151.471
flat angles P-C4'-P energy: -90.550
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: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1263.223597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.223597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.223597 (E_RNA)
where:
Base-Base interactions energy: -711.781
where: short stacking energy: -334.709
Base-Backbone interact. energy: -6.216
local terms energy: -545.226454
where:
bonds (distance) C4'-P energy: -146.754
bonds (distance) P-C4' energy: -149.317
flat angles C4'-P-C4' energy: -144.449
flat angles P-C4'-P energy: -76.848
tors. eta vs tors. theta energy: -27.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1157.915586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.915586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.915586 (E_RNA)
where:
Base-Base interactions energy: -609.917
where: short stacking energy: -307.871
Base-Backbone interact. energy: 6.935
local terms energy: -554.933722
where:
bonds (distance) C4'-P energy: -147.573
bonds (distance) P-C4' energy: -164.819
flat angles C4'-P-C4' energy: -131.342
flat angles P-C4'-P energy: -98.793
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -721.041438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.041438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.041438 (E_RNA)
where:
Base-Base interactions energy: -274.380
where: short stacking energy: -182.869
Base-Backbone interact. energy: 2.170
local terms energy: -448.830619
where:
bonds (distance) C4'-P energy: -140.829
bonds (distance) P-C4' energy: -154.910
flat angles C4'-P-C4' energy: -126.038
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: 48.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -3110.230716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3110.230716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3110.230716 (E_RNA)
where:
Base-Base interactions energy: -2126.144
where: short stacking energy: -912.751
Base-Backbone interact. energy: -3.780
local terms energy: -980.306747
where:
bonds (distance) C4'-P energy: -177.855
bonds (distance) P-C4' energy: -184.328
flat angles C4'-P-C4' energy: -201.824
flat angles P-C4'-P energy: -139.866
tors. eta vs tors. theta energy: -276.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2909.350860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.350860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.350860 (E_RNA)
where:
Base-Base interactions energy: -1965.819
where: short stacking energy: -849.884
Base-Backbone interact. energy: -4.098
local terms energy: -939.434431
where:
bonds (distance) C4'-P energy: -183.103
bonds (distance) P-C4' energy: -169.274
flat angles C4'-P-C4' energy: -203.458
flat angles P-C4'-P energy: -124.093
tors. eta vs tors. theta energy: -259.506
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2719.216125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.216125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.216125 (E_RNA)
where:
Base-Base interactions energy: -1856.503
where: short stacking energy: -789.923
Base-Backbone interact. energy: -2.042
local terms energy: -860.671334
where:
bonds (distance) C4'-P energy: -162.105
bonds (distance) P-C4' energy: -162.868
flat angles C4'-P-C4' energy: -191.853
flat angles P-C4'-P energy: -127.459
tors. eta vs tors. theta energy: -216.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2603.192686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.192686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.192686 (E_RNA)
where:
Base-Base interactions energy: -1807.801
where: short stacking energy: -722.625
Base-Backbone interact. energy: -5.713
local terms energy: -789.678280
where:
bonds (distance) C4'-P energy: -163.719
bonds (distance) P-C4' energy: -152.409
flat angles C4'-P-C4' energy: -155.039
flat angles P-C4'-P energy: -102.715
tors. eta vs tors. theta energy: -215.796
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: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2279.470112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.470112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.470112 (E_RNA)
where:
Base-Base interactions energy: -1495.861
where: short stacking energy: -656.568
Base-Backbone interact. energy: -4.113
local terms energy: -779.496102
where:
bonds (distance) C4'-P energy: -150.331
bonds (distance) P-C4' energy: -146.099
flat angles C4'-P-C4' energy: -182.771
flat angles P-C4'-P energy: -116.462
tors. eta vs tors. theta energy: -183.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2163.565742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.565742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.565742 (E_RNA)
where:
Base-Base interactions energy: -1419.880
where: short stacking energy: -623.038
Base-Backbone interact. energy: 6.694
local terms energy: -750.379897
where:
bonds (distance) C4'-P energy: -154.641
bonds (distance) P-C4' energy: -167.370
flat angles C4'-P-C4' energy: -174.032
flat angles P-C4'-P energy: -84.150
tors. eta vs tors. theta energy: -170.187
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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1821.588540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.588540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.588540 (E_RNA)
where:
Base-Base interactions energy: -1166.394
where: short stacking energy: -546.821
Base-Backbone interact. energy: 0.465
local terms energy: -655.659515
where:
bonds (distance) C4'-P energy: -123.032
bonds (distance) P-C4' energy: -165.006
flat angles C4'-P-C4' energy: -151.472
flat angles P-C4'-P energy: -110.661
tors. eta vs tors. theta energy: -105.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1294.860107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.860107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.860107 (E_RNA)
where:
Base-Base interactions energy: -723.881
where: short stacking energy: -327.360
Base-Backbone interact. energy: -1.859
local terms energy: -569.120283
where:
bonds (distance) C4'-P energy: -135.275
bonds (distance) P-C4' energy: -158.261
flat angles C4'-P-C4' energy: -134.391
flat angles P-C4'-P energy: -98.600
tors. eta vs tors. theta energy: -42.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1235.138472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.138472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.138472 (E_RNA)
where:
Base-Base interactions energy: -708.007
where: short stacking energy: -359.763
Base-Backbone interact. energy: -0.949
local terms energy: -526.183380
where:
bonds (distance) C4'-P energy: -136.998
bonds (distance) P-C4' energy: -145.877
flat angles C4'-P-C4' energy: -107.768
flat angles P-C4'-P energy: -84.581
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -731.064510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.064510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.064510 (E_RNA)
where:
Base-Base interactions energy: -339.155
where: short stacking energy: -223.958
Base-Backbone interact. energy: 1.911
local terms energy: -393.821291
where:
bonds (distance) C4'-P energy: -144.280
bonds (distance) P-C4' energy: -132.311
flat angles C4'-P-C4' energy: -102.074
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: 34.632
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: 167
Temperature: 0.900000
Total energy: -3116.278437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3116.278437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3116.278437 (E_RNA)
where:
Base-Base interactions energy: -2139.291
where: short stacking energy: -902.172
Base-Backbone interact. energy: -1.911
local terms energy: -975.077099
where:
bonds (distance) C4'-P energy: -182.554
bonds (distance) P-C4' energy: -168.162
flat angles C4'-P-C4' energy: -195.351
flat angles P-C4'-P energy: -148.460
tors. eta vs tors. theta energy: -280.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2903.981022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.981022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.981022 (E_RNA)
where:
Base-Base interactions energy: -1964.173
where: short stacking energy: -837.901
Base-Backbone interact. energy: -8.328
local terms energy: -931.480522
where:
bonds (distance) C4'-P energy: -185.730
bonds (distance) P-C4' energy: -177.113
flat angles C4'-P-C4' energy: -176.800
flat angles P-C4'-P energy: -137.234
tors. eta vs tors. theta energy: -254.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2685.540792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.540792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.540792 (E_RNA)
where:
Base-Base interactions energy: -1805.797
where: short stacking energy: -777.788
Base-Backbone interact. energy: -4.702
local terms energy: -875.042364
where:
bonds (distance) C4'-P energy: -169.136
bonds (distance) P-C4' energy: -166.417
flat angles C4'-P-C4' energy: -201.587
flat angles P-C4'-P energy: -120.692
tors. eta vs tors. theta energy: -217.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2515.054917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.054917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.054917 (E_RNA)
where:
Base-Base interactions energy: -1689.309
where: short stacking energy: -690.853
Base-Backbone interact. energy: -4.415
local terms energy: -821.330539
where:
bonds (distance) C4'-P energy: -159.645
bonds (distance) P-C4' energy: -170.824
flat angles C4'-P-C4' energy: -174.509
flat angles P-C4'-P energy: -122.666
tors. eta vs tors. theta energy: -193.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2295.734150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.734150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.734150 (E_RNA)
where:
Base-Base interactions energy: -1489.716
where: short stacking energy: -665.857
Base-Backbone interact. energy: -3.609
local terms energy: -802.409783
where:
bonds (distance) C4'-P energy: -146.731
bonds (distance) P-C4' energy: -174.673
flat angles C4'-P-C4' energy: -167.282
flat angles P-C4'-P energy: -123.284
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: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2222.207433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.207433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.207433 (E_RNA)
where:
Base-Base interactions energy: -1465.928
where: short stacking energy: -638.246
Base-Backbone interact. energy: 6.223
local terms energy: -762.501908
where:
bonds (distance) C4'-P energy: -140.806
bonds (distance) P-C4' energy: -162.744
flat angles C4'-P-C4' energy: -177.828
flat angles P-C4'-P energy: -106.291
tors. eta vs tors. theta energy: -174.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1804.552796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.552796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.552796 (E_RNA)
where:
Base-Base interactions energy: -1149.854
where: short stacking energy: -483.756
Base-Backbone interact. energy: 0.204
local terms energy: -654.902880
where:
bonds (distance) C4'-P energy: -155.258
bonds (distance) P-C4' energy: -155.890
flat angles C4'-P-C4' energy: -158.280
flat angles P-C4'-P energy: -105.035
tors. eta vs tors. theta energy: -80.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1223.093008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.093008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.093008 (E_RNA)
where:
Base-Base interactions energy: -691.789
where: short stacking energy: -308.666
Base-Backbone interact. energy: -1.371
local terms energy: -529.932626
where:
bonds (distance) C4'-P energy: -149.958
bonds (distance) P-C4' energy: -156.892
flat angles C4'-P-C4' energy: -141.482
flat angles P-C4'-P energy: -81.249
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1293.145884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.145884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.145884 (E_RNA)
where:
Base-Base interactions energy: -746.271
where: short stacking energy: -339.527
Base-Backbone interact. energy: 0.220
local terms energy: -547.094539
where:
bonds (distance) C4'-P energy: -131.840
bonds (distance) P-C4' energy: -156.404
flat angles C4'-P-C4' energy: -141.780
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -43.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -744.901200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.901200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.901200 (E_RNA)
where:
Base-Base interactions energy: -300.574
where: short stacking energy: -218.856
Base-Backbone interact. energy: 1.164
local terms energy: -445.491656
where:
bonds (distance) C4'-P energy: -144.710
bonds (distance) P-C4' energy: -132.613
flat angles C4'-P-C4' energy: -114.560
flat angles P-C4'-P energy: -71.074
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: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -3082.949971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3082.949971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3082.949971 (E_RNA)
where:
Base-Base interactions energy: -2110.653
where: short stacking energy: -876.844
Base-Backbone interact. energy: -4.265
local terms energy: -968.031850
where:
bonds (distance) C4'-P energy: -183.244
bonds (distance) P-C4' energy: -171.200
flat angles C4'-P-C4' energy: -213.142
flat angles P-C4'-P energy: -126.440
tors. eta vs tors. theta energy: -274.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2857.070691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.070691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.070691 (E_RNA)
where:
Base-Base interactions energy: -1935.825
where: short stacking energy: -804.146
Base-Backbone interact. energy: -1.834
local terms energy: -919.411641
where:
bonds (distance) C4'-P energy: -184.559
bonds (distance) P-C4' energy: -171.680
flat angles C4'-P-C4' energy: -201.498
flat angles P-C4'-P energy: -127.651
tors. eta vs tors. theta energy: -234.024
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: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2772.212653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.212653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.212653 (E_RNA)
where:
Base-Base interactions energy: -1877.646
where: short stacking energy: -802.550
Base-Backbone interact. energy: -0.899
local terms energy: -893.667527
where:
bonds (distance) C4'-P energy: -173.492
bonds (distance) P-C4' energy: -155.875
flat angles C4'-P-C4' energy: -216.665
flat angles P-C4'-P energy: -126.816
tors. eta vs tors. theta energy: -220.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2624.107615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.107615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.107615 (E_RNA)
where:
Base-Base interactions energy: -1771.953
where: short stacking energy: -764.664
Base-Backbone interact. energy: -0.196
local terms energy: -851.958446
where:
bonds (distance) C4'-P energy: -160.430
bonds (distance) P-C4' energy: -153.139
flat angles C4'-P-C4' energy: -193.194
flat angles P-C4'-P energy: -118.101
tors. eta vs tors. theta energy: -227.094
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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2305.254219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.254219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.254219 (E_RNA)
where:
Base-Base interactions energy: -1500.697
where: short stacking energy: -687.656
Base-Backbone interact. energy: -2.713
local terms energy: -801.843507
where:
bonds (distance) C4'-P energy: -154.128
bonds (distance) P-C4' energy: -172.864
flat angles C4'-P-C4' energy: -150.154
flat angles P-C4'-P energy: -122.462
tors. eta vs tors. theta energy: -202.236
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: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2225.521251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.521251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.521251 (E_RNA)
where:
Base-Base interactions energy: -1460.210
where: short stacking energy: -656.405
Base-Backbone interact. energy: -1.952
local terms energy: -763.359764
where:
bonds (distance) C4'-P energy: -139.605
bonds (distance) P-C4' energy: -141.328
flat angles C4'-P-C4' energy: -182.757
flat angles P-C4'-P energy: -118.467
tors. eta vs tors. theta energy: -181.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1781.739452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.739452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.739452 (E_RNA)
where:
Base-Base interactions energy: -1094.759
where: short stacking energy: -513.090
Base-Backbone interact. energy: 10.081
local terms energy: -697.061646
where:
bonds (distance) C4'-P energy: -154.861
bonds (distance) P-C4' energy: -172.268
flat angles C4'-P-C4' energy: -148.443
flat angles P-C4'-P energy: -109.299
tors. eta vs tors. theta energy: -112.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1229.059896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.059896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.059896 (E_RNA)
where:
Base-Base interactions energy: -691.023
where: short stacking energy: -348.304
Base-Backbone interact. energy: -5.112
local terms energy: -532.925059
where:
bonds (distance) C4'-P energy: -140.809
bonds (distance) P-C4' energy: -155.980
flat angles C4'-P-C4' energy: -131.630
flat angles P-C4'-P energy: -89.342
tors. eta vs tors. theta energy: -15.165
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1157.494572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.494572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.494572 (E_RNA)
where:
Base-Base interactions energy: -642.448
where: short stacking energy: -335.662
Base-Backbone interact. energy: -4.071
local terms energy: -510.975113
where:
bonds (distance) C4'-P energy: -129.230
bonds (distance) P-C4' energy: -155.489
flat angles C4'-P-C4' energy: -106.360
flat angles P-C4'-P energy: -93.710
tors. eta vs tors. theta energy: -26.187
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: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -684.712945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.712945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.712945 (E_RNA)
where:
Base-Base interactions energy: -253.858
where: short stacking energy: -190.527
Base-Backbone interact. energy: 1.314
local terms energy: -432.169074
where:
bonds (distance) C4'-P energy: -120.431
bonds (distance) P-C4' energy: -148.010
flat angles C4'-P-C4' energy: -102.470
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: 22.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -3074.246438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.246438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.246438 (E_RNA)
where:
Base-Base interactions energy: -2112.370
where: short stacking energy: -881.636
Base-Backbone interact. energy: -5.007
local terms energy: -956.869553
where:
bonds (distance) C4'-P energy: -179.295
bonds (distance) P-C4' energy: -182.238
flat angles C4'-P-C4' energy: -196.673
flat angles P-C4'-P energy: -134.295
tors. eta vs tors. theta energy: -264.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2911.871574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.871574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.871574 (E_RNA)
where:
Base-Base interactions energy: -1987.167
where: short stacking energy: -838.944
Base-Backbone interact. energy: -3.481
local terms energy: -921.223370
where:
bonds (distance) C4'-P energy: -180.245
bonds (distance) P-C4' energy: -161.516
flat angles C4'-P-C4' energy: -202.019
flat angles P-C4'-P energy: -134.722
tors. eta vs tors. theta energy: -242.721
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: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2787.586947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.586947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.586947 (E_RNA)
where:
Base-Base interactions energy: -1856.465
where: short stacking energy: -794.816
Base-Backbone interact. energy: -0.414
local terms energy: -930.707757
where:
bonds (distance) C4'-P energy: -176.935
bonds (distance) P-C4' energy: -187.905
flat angles C4'-P-C4' energy: -204.552
flat angles P-C4'-P energy: -127.103
tors. eta vs tors. theta energy: -234.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2564.405357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.405357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.405357 (E_RNA)
where:
Base-Base interactions energy: -1697.752
where: short stacking energy: -709.742
Base-Backbone interact. energy: -3.123
local terms energy: -863.530444
where:
bonds (distance) C4'-P energy: -161.730
bonds (distance) P-C4' energy: -172.017
flat angles C4'-P-C4' energy: -187.079
flat angles P-C4'-P energy: -119.897
tors. eta vs tors. theta energy: -222.809
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: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2333.660785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.660785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.660785 (E_RNA)
where:
Base-Base interactions energy: -1505.777
where: short stacking energy: -698.406
Base-Backbone interact. energy: 1.070
local terms energy: -828.954514
where:
bonds (distance) C4'-P energy: -169.948
bonds (distance) P-C4' energy: -166.541
flat angles C4'-P-C4' energy: -184.765
flat angles P-C4'-P energy: -120.722
tors. eta vs tors. theta energy: -186.979
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: 169
Temperature: 1.150000
Total energy: -2163.789997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.789997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.789997 (E_RNA)
where:
Base-Base interactions energy: -1455.293
where: short stacking energy: -628.243
Base-Backbone interact. energy: -4.000
local terms energy: -704.496607
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -135.763
flat angles C4'-P-C4' energy: -169.708
flat angles P-C4'-P energy: -111.547
tors. eta vs tors. theta energy: -155.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1811.509140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.509140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.509140 (E_RNA)
where:
Base-Base interactions energy: -1123.773
where: short stacking energy: -494.677
Base-Backbone interact. energy: -2.153
local terms energy: -685.583705
where:
bonds (distance) C4'-P energy: -152.406
bonds (distance) P-C4' energy: -166.071
flat angles C4'-P-C4' energy: -158.860
flat angles P-C4'-P energy: -91.156
tors. eta vs tors. theta energy: -117.090
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: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1217.920104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.920104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.920104 (E_RNA)
where:
Base-Base interactions energy: -720.261
where: short stacking energy: -346.632
Base-Backbone interact. energy: 2.687
local terms energy: -500.346123
where:
bonds (distance) C4'-P energy: -130.868
bonds (distance) P-C4' energy: -149.468
flat angles C4'-P-C4' energy: -129.960
flat angles P-C4'-P energy: -65.376
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1058.726562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.726562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.726562 (E_RNA)
where:
Base-Base interactions energy: -529.231
where: short stacking energy: -286.062
Base-Backbone interact. energy: 3.782
local terms energy: -533.277480
where:
bonds (distance) C4'-P energy: -163.442
bonds (distance) P-C4' energy: -152.648
flat angles C4'-P-C4' energy: -118.562
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -665.756692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.756692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.756692 (E_RNA)
where:
Base-Base interactions energy: -238.366
where: short stacking energy: -191.195
Base-Backbone interact. energy: 1.008
local terms energy: -428.399037
where:
bonds (distance) C4'-P energy: -128.462
bonds (distance) P-C4' energy: -169.308
flat angles C4'-P-C4' energy: -108.540
flat angles P-C4'-P energy: -61.361
tors. eta vs tors. theta energy: 39.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -3089.361532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3089.361532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3089.361532 (E_RNA)
where:
Base-Base interactions energy: -2114.929
where: short stacking energy: -883.298
Base-Backbone interact. energy: -2.799
local terms energy: -971.633190
where:
bonds (distance) C4'-P energy: -185.615
bonds (distance) P-C4' energy: -170.005
flat angles C4'-P-C4' energy: -204.335
flat angles P-C4'-P energy: -137.638
tors. eta vs tors. theta energy: -274.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2910.350275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.350275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.350275 (E_RNA)
where:
Base-Base interactions energy: -1969.363
where: short stacking energy: -808.492
Base-Backbone interact. energy: -2.026
local terms energy: -938.962029
where:
bonds (distance) C4'-P energy: -169.703
bonds (distance) P-C4' energy: -184.830
flat angles C4'-P-C4' energy: -198.965
flat angles P-C4'-P energy: -144.029
tors. eta vs tors. theta energy: -241.435
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: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2769.316314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.316314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.316314 (E_RNA)
where:
Base-Base interactions energy: -1867.006
where: short stacking energy: -779.481
Base-Backbone interact. energy: -2.121
local terms energy: -900.189569
where:
bonds (distance) C4'-P energy: -162.728
bonds (distance) P-C4' energy: -184.235
flat angles C4'-P-C4' energy: -202.083
flat angles P-C4'-P energy: -133.180
tors. eta vs tors. theta energy: -217.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2586.578133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.578133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.578133 (E_RNA)
where:
Base-Base interactions energy: -1757.804
where: short stacking energy: -743.109
Base-Backbone interact. energy: -2.467
local terms energy: -826.307544
where:
bonds (distance) C4'-P energy: -149.098
bonds (distance) P-C4' energy: -159.504
flat angles C4'-P-C4' energy: -186.058
flat angles P-C4'-P energy: -115.642
tors. eta vs tors. theta energy: -216.006
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2351.568233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.568233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.568233 (E_RNA)
where:
Base-Base interactions energy: -1548.569
where: short stacking energy: -666.752
Base-Backbone interact. energy: -4.419
local terms energy: -798.580838
where:
bonds (distance) C4'-P energy: -153.264
bonds (distance) P-C4' energy: -170.404
flat angles C4'-P-C4' energy: -177.533
flat angles P-C4'-P energy: -116.324
tors. eta vs tors. theta energy: -181.055
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: 170
Temperature: 1.150000
Total energy: -2187.741324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.741324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.741324 (E_RNA)
where:
Base-Base interactions energy: -1429.872
where: short stacking energy: -601.100
Base-Backbone interact. energy: 2.785
local terms energy: -760.654865
where:
bonds (distance) C4'-P energy: -166.783
bonds (distance) P-C4' energy: -161.746
flat angles C4'-P-C4' energy: -159.306
flat angles P-C4'-P energy: -109.064
tors. eta vs tors. theta energy: -163.757
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: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1830.613818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.613818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.613818 (E_RNA)
where:
Base-Base interactions energy: -1151.066
where: short stacking energy: -520.705
Base-Backbone interact. energy: -3.659
local terms energy: -675.888976
where:
bonds (distance) C4'-P energy: -149.078
bonds (distance) P-C4' energy: -163.779
flat angles C4'-P-C4' energy: -142.332
flat angles P-C4'-P energy: -94.755
tors. eta vs tors. theta energy: -125.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1263.346274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.346274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.346274 (E_RNA)
where:
Base-Base interactions energy: -705.706
where: short stacking energy: -357.353
Base-Backbone interact. energy: 1.571
local terms energy: -559.211875
where:
bonds (distance) C4'-P energy: -133.491
bonds (distance) P-C4' energy: -149.804
flat angles C4'-P-C4' energy: -148.665
flat angles P-C4'-P energy: -95.777
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: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1030.696010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.696010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.696010 (E_RNA)
where:
Base-Base interactions energy: -519.520
where: short stacking energy: -288.242
Base-Backbone interact. energy: -4.025
local terms energy: -507.150697
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -136.430
flat angles C4'-P-C4' energy: -140.010
flat angles P-C4'-P energy: -78.668
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -688.570070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.570070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.570070 (E_RNA)
where:
Base-Base interactions energy: -228.345
where: short stacking energy: -186.746
Base-Backbone interact. energy: 1.440
local terms energy: -461.664729
where:
bonds (distance) C4'-P energy: -144.533
bonds (distance) P-C4' energy: -149.359
flat angles C4'-P-C4' energy: -105.347
flat angles P-C4'-P energy: -81.531
tors. eta vs tors. theta energy: 19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -3083.680803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3083.680803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3083.680803 (E_RNA)
where:
Base-Base interactions energy: -2104.077
where: short stacking energy: -901.664
Base-Backbone interact. energy: -1.184
local terms energy: -978.418994
where:
bonds (distance) C4'-P energy: -173.182
bonds (distance) P-C4' energy: -174.027
flat angles C4'-P-C4' energy: -207.397
flat angles P-C4'-P energy: -144.159
tors. eta vs tors. theta energy: -279.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2918.311899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.311899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.311899 (E_RNA)
where:
Base-Base interactions energy: -1979.423
where: short stacking energy: -800.808
Base-Backbone interact. energy: -5.899
local terms energy: -932.989171
where:
bonds (distance) C4'-P energy: -167.727
bonds (distance) P-C4' energy: -186.491
flat angles C4'-P-C4' energy: -199.935
flat angles P-C4'-P energy: -135.808
tors. eta vs tors. theta energy: -243.028
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: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2775.306404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.306404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.306404 (E_RNA)
where:
Base-Base interactions energy: -1879.860
where: short stacking energy: -789.921
Base-Backbone interact. energy: -0.285
local terms energy: -895.161439
where:
bonds (distance) C4'-P energy: -156.755
bonds (distance) P-C4' energy: -171.265
flat angles C4'-P-C4' energy: -197.937
flat angles P-C4'-P energy: -140.419
tors. eta vs tors. theta energy: -228.784
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2625.283549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.283549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.283549 (E_RNA)
where:
Base-Base interactions energy: -1749.188
where: short stacking energy: -727.513
Base-Backbone interact. energy: -3.959
local terms energy: -872.136221
where:
bonds (distance) C4'-P energy: -175.669
bonds (distance) P-C4' energy: -175.289
flat angles C4'-P-C4' energy: -177.579
flat angles P-C4'-P energy: -110.344
tors. eta vs tors. theta energy: -233.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2362.974894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.974894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.974894 (E_RNA)
where:
Base-Base interactions energy: -1542.219
where: short stacking energy: -664.213
Base-Backbone interact. energy: -0.054
local terms energy: -820.702800
where:
bonds (distance) C4'-P energy: -159.217
bonds (distance) P-C4' energy: -170.602
flat angles C4'-P-C4' energy: -194.300
flat angles P-C4'-P energy: -109.587
tors. eta vs tors. theta energy: -186.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2221.301543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.301543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.301543 (E_RNA)
where:
Base-Base interactions energy: -1494.381
where: short stacking energy: -643.376
Base-Backbone interact. energy: -0.910
local terms energy: -726.010518
where:
bonds (distance) C4'-P energy: -141.266
bonds (distance) P-C4' energy: -148.513
flat angles C4'-P-C4' energy: -169.121
flat angles P-C4'-P energy: -108.614
tors. eta vs tors. theta energy: -158.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1845.799325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.799325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.799325 (E_RNA)
where:
Base-Base interactions energy: -1172.558
where: short stacking energy: -529.518
Base-Backbone interact. energy: -4.779
local terms energy: -668.463099
where:
bonds (distance) C4'-P energy: -143.211
bonds (distance) P-C4' energy: -140.419
flat angles C4'-P-C4' energy: -160.831
flat angles P-C4'-P energy: -110.926
tors. eta vs tors. theta energy: -113.076
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: 171
Temperature: 1.250000
Total energy: -1296.285425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.285425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.285425 (E_RNA)
where:
Base-Base interactions energy: -754.957
where: short stacking energy: -384.294
Base-Backbone interact. energy: 0.039
local terms energy: -541.367448
where:
bonds (distance) C4'-P energy: -155.994
bonds (distance) P-C4' energy: -124.248
flat angles C4'-P-C4' energy: -143.787
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1018.701871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.701871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.701871 (E_RNA)
where:
Base-Base interactions energy: -513.579
where: short stacking energy: -310.234
Base-Backbone interact. energy: -2.441
local terms energy: -502.682220
where:
bonds (distance) C4'-P energy: -127.656
bonds (distance) P-C4' energy: -142.856
flat angles C4'-P-C4' energy: -138.916
flat angles P-C4'-P energy: -96.159
tors. eta vs tors. theta energy: 2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -687.116167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.116167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.116167 (E_RNA)
where:
Base-Base interactions energy: -231.574
where: short stacking energy: -189.816
Base-Backbone interact. energy: 3.685
local terms energy: -459.226961
where:
bonds (distance) C4'-P energy: -123.594
bonds (distance) P-C4' energy: -154.242
flat angles C4'-P-C4' energy: -114.703
flat angles P-C4'-P energy: -89.509
tors. eta vs tors. theta energy: 22.822
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: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -3068.817442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3068.817442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3068.817442 (E_RNA)
where:
Base-Base interactions energy: -2125.818
where: short stacking energy: -876.081
Base-Backbone interact. energy: 2.855
local terms energy: -945.854332
where:
bonds (distance) C4'-P energy: -178.653
bonds (distance) P-C4' energy: -165.807
flat angles C4'-P-C4' energy: -195.364
flat angles P-C4'-P energy: -136.213
tors. eta vs tors. theta energy: -269.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2920.312158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.312158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.312158 (E_RNA)
where:
Base-Base interactions energy: -1978.769
where: short stacking energy: -828.062
Base-Backbone interact. energy: -0.880
local terms energy: -940.662757
where:
bonds (distance) C4'-P energy: -183.647
bonds (distance) P-C4' energy: -196.950
flat angles C4'-P-C4' energy: -170.449
flat angles P-C4'-P energy: -143.314
tors. eta vs tors. theta energy: -246.304
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: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2762.037390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.037390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.037390 (E_RNA)
where:
Base-Base interactions energy: -1882.293
where: short stacking energy: -774.308
Base-Backbone interact. energy: -5.358
local terms energy: -874.386600
where:
bonds (distance) C4'-P energy: -164.624
bonds (distance) P-C4' energy: -173.444
flat angles C4'-P-C4' energy: -187.690
flat angles P-C4'-P energy: -133.824
tors. eta vs tors. theta energy: -214.804
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: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2662.774854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.774854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.774854 (E_RNA)
where:
Base-Base interactions energy: -1783.032
where: short stacking energy: -743.420
Base-Backbone interact. energy: -1.323
local terms energy: -878.419353
where:
bonds (distance) C4'-P energy: -181.003
bonds (distance) P-C4' energy: -171.846
flat angles C4'-P-C4' energy: -184.945
flat angles P-C4'-P energy: -126.500
tors. eta vs tors. theta energy: -214.126
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: 172
Temperature: 1.100000
Total energy: -2349.034595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.034595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.034595 (E_RNA)
where:
Base-Base interactions energy: -1545.584
where: short stacking energy: -665.693
Base-Backbone interact. energy: -0.875
local terms energy: -802.575192
where:
bonds (distance) C4'-P energy: -145.920
bonds (distance) P-C4' energy: -169.901
flat angles C4'-P-C4' energy: -190.898
flat angles P-C4'-P energy: -105.611
tors. eta vs tors. theta energy: -190.245
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: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2178.563126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.563126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.563126 (E_RNA)
where:
Base-Base interactions energy: -1405.395
where: short stacking energy: -624.440
Base-Backbone interact. energy: -0.241
local terms energy: -772.926920
where:
bonds (distance) C4'-P energy: -152.616
bonds (distance) P-C4' energy: -155.529
flat angles C4'-P-C4' energy: -175.668
flat angles P-C4'-P energy: -112.496
tors. eta vs tors. theta energy: -176.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1935.828178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.828178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.828178 (E_RNA)
where:
Base-Base interactions energy: -1238.225
where: short stacking energy: -549.082
Base-Backbone interact. energy: -8.364
local terms energy: -689.239039
where:
bonds (distance) C4'-P energy: -145.550
bonds (distance) P-C4' energy: -162.968
flat angles C4'-P-C4' energy: -149.662
flat angles P-C4'-P energy: -90.343
tors. eta vs tors. theta energy: -140.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1275.279169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.279169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.279169 (E_RNA)
where:
Base-Base interactions energy: -702.211
where: short stacking energy: -333.526
Base-Backbone interact. energy: 1.584
local terms energy: -574.652672
where:
bonds (distance) C4'-P energy: -160.720
bonds (distance) P-C4' energy: -143.411
flat angles C4'-P-C4' energy: -159.489
flat angles P-C4'-P energy: -88.634
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -986.651051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.651051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.651051 (E_RNA)
where:
Base-Base interactions energy: -513.331
where: short stacking energy: -283.770
Base-Backbone interact. energy: 1.576
local terms energy: -474.895865
where:
bonds (distance) C4'-P energy: -127.478
bonds (distance) P-C4' energy: -142.847
flat angles C4'-P-C4' energy: -140.380
flat angles P-C4'-P energy: -81.604
tors. eta vs tors. theta energy: 17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -664.281304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.281304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.281304 (E_RNA)
where:
Base-Base interactions energy: -234.413
where: short stacking energy: -184.172
Base-Backbone interact. energy: 0.501
local terms energy: -430.368949
where:
bonds (distance) C4'-P energy: -148.257
bonds (distance) P-C4' energy: -154.377
flat angles C4'-P-C4' energy: -123.571
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: 51.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -3076.723525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3076.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3076.723525 (E_RNA)
where:
Base-Base interactions energy: -2112.879
where: short stacking energy: -899.450
Base-Backbone interact. energy: -1.099
local terms energy: -962.745027
where:
bonds (distance) C4'-P energy: -161.554
bonds (distance) P-C4' energy: -182.822
flat angles C4'-P-C4' energy: -211.038
flat angles P-C4'-P energy: -141.574
tors. eta vs tors. theta energy: -265.757
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2909.696352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.696352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.696352 (E_RNA)
where:
Base-Base interactions energy: -1962.593
where: short stacking energy: -839.014
Base-Backbone interact. energy: -7.753
local terms energy: -939.349925
where:
bonds (distance) C4'-P energy: -185.492
bonds (distance) P-C4' energy: -177.970
flat angles C4'-P-C4' energy: -194.403
flat angles P-C4'-P energy: -135.092
tors. eta vs tors. theta energy: -246.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2738.015657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.015657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.015657 (E_RNA)
where:
Base-Base interactions energy: -1853.088
where: short stacking energy: -747.229
Base-Backbone interact. energy: -2.413
local terms energy: -882.514590
where:
bonds (distance) C4'-P energy: -165.633
bonds (distance) P-C4' energy: -177.827
flat angles C4'-P-C4' energy: -187.235
flat angles P-C4'-P energy: -140.746
tors. eta vs tors. theta energy: -211.073
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: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2678.067512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.067512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.067512 (E_RNA)
where:
Base-Base interactions energy: -1806.674
where: short stacking energy: -736.151
Base-Backbone interact. energy: -6.375
local terms energy: -865.018515
where:
bonds (distance) C4'-P energy: -172.290
bonds (distance) P-C4' energy: -178.765
flat angles C4'-P-C4' energy: -198.732
flat angles P-C4'-P energy: -113.351
tors. eta vs tors. theta energy: -201.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2367.098228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.098228 (E_RNA)
where:
Base-Base interactions energy: -1562.580
where: short stacking energy: -682.749
Base-Backbone interact. energy: -4.908
local terms energy: -799.610668
where:
bonds (distance) C4'-P energy: -154.257
bonds (distance) P-C4' energy: -164.419
flat angles C4'-P-C4' energy: -178.775
flat angles P-C4'-P energy: -101.528
tors. eta vs tors. theta energy: -200.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2186.327136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.327136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.327136 (E_RNA)
where:
Base-Base interactions energy: -1428.699
where: short stacking energy: -631.243
Base-Backbone interact. energy: -0.327
local terms energy: -757.301415
where:
bonds (distance) C4'-P energy: -144.225
bonds (distance) P-C4' energy: -162.161
flat angles C4'-P-C4' energy: -177.036
flat angles P-C4'-P energy: -110.645
tors. eta vs tors. theta energy: -163.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1880.836706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.836706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.836706 (E_RNA)
where:
Base-Base interactions energy: -1217.250
where: short stacking energy: -552.196
Base-Backbone interact. energy: 4.975
local terms energy: -668.561361
where:
bonds (distance) C4'-P energy: -141.049
bonds (distance) P-C4' energy: -171.475
flat angles C4'-P-C4' energy: -145.857
flat angles P-C4'-P energy: -97.799
tors. eta vs tors. theta energy: -112.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1391.324819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.324819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.324819 (E_RNA)
where:
Base-Base interactions energy: -789.955
where: short stacking energy: -404.411
Base-Backbone interact. energy: 1.125
local terms energy: -602.494984
where:
bonds (distance) C4'-P energy: -151.526
bonds (distance) P-C4' energy: -148.597
flat angles C4'-P-C4' energy: -160.438
flat angles P-C4'-P energy: -87.203
tors. eta vs tors. theta energy: -54.731
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: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -996.196468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.196468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.196468 (E_RNA)
where:
Base-Base interactions energy: -490.937
where: short stacking energy: -293.858
Base-Backbone interact. energy: 0.311
local terms energy: -505.570108
where:
bonds (distance) C4'-P energy: -152.689
bonds (distance) P-C4' energy: -142.752
flat angles C4'-P-C4' energy: -132.038
flat angles P-C4'-P energy: -81.831
tors. eta vs tors. theta energy: 3.740
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: 173
Temperature: 1.350000
Total energy: -676.679721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.679721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.679721 (E_RNA)
where:
Base-Base interactions energy: -236.838
where: short stacking energy: -219.169
Base-Backbone interact. energy: -5.286
local terms energy: -434.555573
where:
bonds (distance) C4'-P energy: -145.595
bonds (distance) P-C4' energy: -133.929
flat angles C4'-P-C4' energy: -107.848
flat angles P-C4'-P energy: -75.828
tors. eta vs tors. theta energy: 28.645
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: 174
Temperature: 0.900000
Total energy: -3077.023840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3077.023840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3077.023840 (E_RNA)
where:
Base-Base interactions energy: -2130.952
where: short stacking energy: -888.068
Base-Backbone interact. energy: -5.808
local terms energy: -940.263903
where:
bonds (distance) C4'-P energy: -154.865
bonds (distance) P-C4' energy: -177.316
flat angles C4'-P-C4' energy: -204.965
flat angles P-C4'-P energy: -134.916
tors. eta vs tors. theta energy: -268.202
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: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2887.544822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.544822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.544822 (E_RNA)
where:
Base-Base interactions energy: -1935.746
where: short stacking energy: -845.426
Base-Backbone interact. energy: -4.135
local terms energy: -947.664197
where:
bonds (distance) C4'-P energy: -180.244
bonds (distance) P-C4' energy: -187.676
flat angles C4'-P-C4' energy: -195.130
flat angles P-C4'-P energy: -131.945
tors. eta vs tors. theta energy: -252.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2718.416956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.416956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.416956 (E_RNA)
where:
Base-Base interactions energy: -1857.160
where: short stacking energy: -760.822
Base-Backbone interact. energy: 0.380
local terms energy: -861.637363
where:
bonds (distance) C4'-P energy: -166.418
bonds (distance) P-C4' energy: -149.275
flat angles C4'-P-C4' energy: -198.103
flat angles P-C4'-P energy: -124.588
tors. eta vs tors. theta energy: -223.254
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: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2642.462412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.462412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.462412 (E_RNA)
where:
Base-Base interactions energy: -1766.494
where: short stacking energy: -760.386
Base-Backbone interact. energy: -7.265
local terms energy: -868.703716
where:
bonds (distance) C4'-P energy: -164.385
bonds (distance) P-C4' energy: -170.916
flat angles C4'-P-C4' energy: -203.414
flat angles P-C4'-P energy: -97.387
tors. eta vs tors. theta energy: -232.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2292.353015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.353015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.353015 (E_RNA)
where:
Base-Base interactions energy: -1498.920
where: short stacking energy: -664.431
Base-Backbone interact. energy: 1.315
local terms energy: -794.748853
where:
bonds (distance) C4'-P energy: -151.358
bonds (distance) P-C4' energy: -168.510
flat angles C4'-P-C4' energy: -181.005
flat angles P-C4'-P energy: -116.357
tors. eta vs tors. theta energy: -177.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2178.363273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.363273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.363273 (E_RNA)
where:
Base-Base interactions energy: -1430.402
where: short stacking energy: -651.214
Base-Backbone interact. energy: -3.905
local terms energy: -744.056135
where:
bonds (distance) C4'-P energy: -144.215
bonds (distance) P-C4' energy: -161.813
flat angles C4'-P-C4' energy: -186.125
flat angles P-C4'-P energy: -102.322
tors. eta vs tors. theta energy: -149.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1957.390748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.390748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.390748 (E_RNA)
where:
Base-Base interactions energy: -1252.942
where: short stacking energy: -543.645
Base-Backbone interact. energy: -0.698
local terms energy: -703.750878
where:
bonds (distance) C4'-P energy: -136.321
bonds (distance) P-C4' energy: -167.744
flat angles C4'-P-C4' energy: -159.250
flat angles P-C4'-P energy: -110.824
tors. eta vs tors. theta energy: -129.611
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: 174
Temperature: 1.250000
Total energy: -1455.024311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.024311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.024311 (E_RNA)
where:
Base-Base interactions energy: -840.942
where: short stacking energy: -411.667
Base-Backbone interact. energy: 9.534
local terms energy: -623.616055
where:
bonds (distance) C4'-P energy: -145.795
bonds (distance) P-C4' energy: -172.982
flat angles C4'-P-C4' energy: -158.603
flat angles P-C4'-P energy: -78.890
tors. eta vs tors. theta energy: -67.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -970.478058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.478058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.478058 (E_RNA)
where:
Base-Base interactions energy: -487.596
where: short stacking energy: -284.168
Base-Backbone interact. energy: 2.565
local terms energy: -485.446443
where:
bonds (distance) C4'-P energy: -132.766
bonds (distance) P-C4' energy: -144.151
flat angles C4'-P-C4' energy: -132.928
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -746.626045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.626045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.626045 (E_RNA)
where:
Base-Base interactions energy: -315.263
where: short stacking energy: -227.617
Base-Backbone interact. energy: 1.053
local terms energy: -432.415490
where:
bonds (distance) C4'-P energy: -129.905
bonds (distance) P-C4' energy: -120.115
flat angles C4'-P-C4' energy: -135.922
flat angles P-C4'-P energy: -78.476
tors. eta vs tors. theta energy: 32.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -3123.490624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3123.490624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3123.490624 (E_RNA)
where:
Base-Base interactions energy: -2144.775
where: short stacking energy: -935.710
Base-Backbone interact. energy: -1.593
local terms energy: -977.122441
where:
bonds (distance) C4'-P energy: -183.769
bonds (distance) P-C4' energy: -192.602
flat angles C4'-P-C4' energy: -206.026
flat angles P-C4'-P energy: -126.929
tors. eta vs tors. theta energy: -267.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2866.894920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.894920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.894920 (E_RNA)
where:
Base-Base interactions energy: -1931.258
where: short stacking energy: -804.831
Base-Backbone interact. energy: -8.364
local terms energy: -927.273430
where:
bonds (distance) C4'-P energy: -178.043
bonds (distance) P-C4' energy: -181.730
flat angles C4'-P-C4' energy: -205.226
flat angles P-C4'-P energy: -126.092
tors. eta vs tors. theta energy: -236.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2749.750428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.750428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.750428 (E_RNA)
where:
Base-Base interactions energy: -1873.921
where: short stacking energy: -827.493
Base-Backbone interact. energy: 2.058
local terms energy: -877.886917
where:
bonds (distance) C4'-P energy: -175.813
bonds (distance) P-C4' energy: -175.798
flat angles C4'-P-C4' energy: -185.238
flat angles P-C4'-P energy: -115.280
tors. eta vs tors. theta energy: -225.759
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: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2629.665880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.665880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.665880 (E_RNA)
where:
Base-Base interactions energy: -1775.630
where: short stacking energy: -752.373
Base-Backbone interact. energy: -5.963
local terms energy: -848.072917
where:
bonds (distance) C4'-P energy: -166.301
bonds (distance) P-C4' energy: -174.101
flat angles C4'-P-C4' energy: -178.714
flat angles P-C4'-P energy: -113.510
tors. eta vs tors. theta energy: -215.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2322.407841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.407841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.407841 (E_RNA)
where:
Base-Base interactions energy: -1514.407
where: short stacking energy: -680.379
Base-Backbone interact. energy: 2.777
local terms energy: -810.778066
where:
bonds (distance) C4'-P energy: -171.825
bonds (distance) P-C4' energy: -157.841
flat angles C4'-P-C4' energy: -186.486
flat angles P-C4'-P energy: -106.347
tors. eta vs tors. theta energy: -188.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2278.007808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.007808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.007808 (E_RNA)
where:
Base-Base interactions energy: -1501.689
where: short stacking energy: -659.250
Base-Backbone interact. energy: 0.595
local terms energy: -776.914173
where:
bonds (distance) C4'-P energy: -157.295
bonds (distance) P-C4' energy: -159.279
flat angles C4'-P-C4' energy: -155.769
flat angles P-C4'-P energy: -141.311
tors. eta vs tors. theta energy: -163.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1893.197721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.197721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.197721 (E_RNA)
where:
Base-Base interactions energy: -1168.243
where: short stacking energy: -519.360
Base-Backbone interact. energy: -4.140
local terms energy: -720.814619
where:
bonds (distance) C4'-P energy: -155.140
bonds (distance) P-C4' energy: -148.008
flat angles C4'-P-C4' energy: -170.986
flat angles P-C4'-P energy: -115.876
tors. eta vs tors. theta energy: -130.804
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: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1399.793296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.793296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.793296 (E_RNA)
where:
Base-Base interactions energy: -808.909
where: short stacking energy: -392.303
Base-Backbone interact. energy: 3.690
local terms energy: -594.574181
where:
bonds (distance) C4'-P energy: -154.893
bonds (distance) P-C4' energy: -177.538
flat angles C4'-P-C4' energy: -124.243
flat angles P-C4'-P energy: -84.225
tors. eta vs tors. theta energy: -53.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -913.857406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.857406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.857406 (E_RNA)
where:
Base-Base interactions energy: -437.666
where: short stacking energy: -257.150
Base-Backbone interact. energy: 0.438
local terms energy: -476.628619
where:
bonds (distance) C4'-P energy: -134.877
bonds (distance) P-C4' energy: -144.807
flat angles C4'-P-C4' energy: -123.208
flat angles P-C4'-P energy: -82.279
tors. eta vs tors. theta energy: 8.543
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: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -716.297827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.297827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.297827 (E_RNA)
where:
Base-Base interactions energy: -257.069
where: short stacking energy: -160.740
Base-Backbone interact. energy: 5.663
local terms energy: -464.891763
where:
bonds (distance) C4'-P energy: -140.488
bonds (distance) P-C4' energy: -176.441
flat angles C4'-P-C4' energy: -132.408
flat angles P-C4'-P energy: -64.163
tors. eta vs tors. theta energy: 48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -3085.115234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3085.115234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3085.115234 (E_RNA)
where:
Base-Base interactions energy: -2103.156
where: short stacking energy: -888.272
Base-Backbone interact. energy: -1.676
local terms energy: -980.282908
where:
bonds (distance) C4'-P energy: -169.315
bonds (distance) P-C4' energy: -192.111
flat angles C4'-P-C4' energy: -207.305
flat angles P-C4'-P energy: -130.581
tors. eta vs tors. theta energy: -280.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2887.396719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.396719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.396719 (E_RNA)
where:
Base-Base interactions energy: -1966.720
where: short stacking energy: -880.827
Base-Backbone interact. energy: -5.767
local terms energy: -914.909346
where:
bonds (distance) C4'-P energy: -163.172
bonds (distance) P-C4' energy: -165.959
flat angles C4'-P-C4' energy: -199.464
flat angles P-C4'-P energy: -140.009
tors. eta vs tors. theta energy: -246.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2755.588241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.588241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.588241 (E_RNA)
where:
Base-Base interactions energy: -1845.851
where: short stacking energy: -816.487
Base-Backbone interact. energy: 1.360
local terms energy: -911.096903
where:
bonds (distance) C4'-P energy: -160.974
bonds (distance) P-C4' energy: -188.595
flat angles C4'-P-C4' energy: -190.043
flat angles P-C4'-P energy: -133.404
tors. eta vs tors. theta energy: -238.080
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: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2639.229940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.229940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.229940 (E_RNA)
where:
Base-Base interactions energy: -1772.346
where: short stacking energy: -754.936
Base-Backbone interact. energy: 0.867
local terms energy: -867.751035
where:
bonds (distance) C4'-P energy: -180.667
bonds (distance) P-C4' energy: -156.880
flat angles C4'-P-C4' energy: -197.693
flat angles P-C4'-P energy: -114.599
tors. eta vs tors. theta energy: -217.912
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: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2351.619898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.619898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.619898 (E_RNA)
where:
Base-Base interactions energy: -1543.754
where: short stacking energy: -680.690
Base-Backbone interact. energy: -6.114
local terms energy: -801.751972
where:
bonds (distance) C4'-P energy: -163.104
bonds (distance) P-C4' energy: -148.305
flat angles C4'-P-C4' energy: -172.834
flat angles P-C4'-P energy: -114.469
tors. eta vs tors. theta energy: -203.041
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: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2276.734821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.734821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.734821 (E_RNA)
where:
Base-Base interactions energy: -1547.279
where: short stacking energy: -659.737
Base-Backbone interact. energy: -3.981
local terms energy: -725.473999
where:
bonds (distance) C4'-P energy: -136.471
bonds (distance) P-C4' energy: -162.586
flat angles C4'-P-C4' energy: -167.149
flat angles P-C4'-P energy: -97.729
tors. eta vs tors. theta energy: -161.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1892.247205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.247205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.247205 (E_RNA)
where:
Base-Base interactions energy: -1224.060
where: short stacking energy: -557.286
Base-Backbone interact. energy: 1.612
local terms energy: -669.798957
where:
bonds (distance) C4'-P energy: -141.460
bonds (distance) P-C4' energy: -160.227
flat angles C4'-P-C4' energy: -152.777
flat angles P-C4'-P energy: -99.771
tors. eta vs tors. theta energy: -115.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1485.306363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.306363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.306363 (E_RNA)
where:
Base-Base interactions energy: -866.264
where: short stacking energy: -414.623
Base-Backbone interact. energy: -1.650
local terms energy: -617.391861
where:
bonds (distance) C4'-P energy: -134.157
bonds (distance) P-C4' energy: -171.782
flat angles C4'-P-C4' energy: -140.644
flat angles P-C4'-P energy: -87.041
tors. eta vs tors. theta energy: -83.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -993.430293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.430293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.430293 (E_RNA)
where:
Base-Base interactions energy: -507.290
where: short stacking energy: -282.995
Base-Backbone interact. energy: 8.005
local terms energy: -494.144912
where:
bonds (distance) C4'-P energy: -146.306
bonds (distance) P-C4' energy: -145.113
flat angles C4'-P-C4' energy: -127.676
flat angles P-C4'-P energy: -66.553
tors. eta vs tors. theta energy: -8.497
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -705.007225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.007225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.007225 (E_RNA)
where:
Base-Base interactions energy: -268.911
where: short stacking energy: -186.971
Base-Backbone interact. energy: 2.049
local terms energy: -438.145179
where:
bonds (distance) C4'-P energy: -169.113
bonds (distance) P-C4' energy: -154.736
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -66.289
tors. eta vs tors. theta energy: 47.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -3091.283067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3091.283067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3091.283067 (E_RNA)
where:
Base-Base interactions energy: -2117.203
where: short stacking energy: -880.134
Base-Backbone interact. energy: -5.445
local terms energy: -968.635223
where:
bonds (distance) C4'-P energy: -180.698
bonds (distance) P-C4' energy: -172.993
flat angles C4'-P-C4' energy: -212.673
flat angles P-C4'-P energy: -128.324
tors. eta vs tors. theta energy: -273.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2901.567513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.567513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.567513 (E_RNA)
where:
Base-Base interactions energy: -1951.884
where: short stacking energy: -845.505
Base-Backbone interact. energy: -5.253
local terms energy: -944.431272
where:
bonds (distance) C4'-P energy: -163.457
bonds (distance) P-C4' energy: -181.203
flat angles C4'-P-C4' energy: -212.497
flat angles P-C4'-P energy: -136.164
tors. eta vs tors. theta energy: -251.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2782.131151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.131151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.131151 (E_RNA)
where:
Base-Base interactions energy: -1855.477
where: short stacking energy: -817.931
Base-Backbone interact. energy: -3.167
local terms energy: -923.487103
where:
bonds (distance) C4'-P energy: -159.815
bonds (distance) P-C4' energy: -167.338
flat angles C4'-P-C4' energy: -201.467
flat angles P-C4'-P energy: -143.598
tors. eta vs tors. theta energy: -251.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2601.919358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.919358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.919358 (E_RNA)
where:
Base-Base interactions energy: -1749.370
where: short stacking energy: -719.625
Base-Backbone interact. energy: -1.533
local terms energy: -851.015964
where:
bonds (distance) C4'-P energy: -170.627
bonds (distance) P-C4' energy: -172.612
flat angles C4'-P-C4' energy: -194.032
flat angles P-C4'-P energy: -103.870
tors. eta vs tors. theta energy: -209.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2394.498837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.498837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.498837 (E_RNA)
where:
Base-Base interactions energy: -1595.056
where: short stacking energy: -687.246
Base-Backbone interact. energy: -5.173
local terms energy: -794.269929
where:
bonds (distance) C4'-P energy: -148.124
bonds (distance) P-C4' energy: -157.590
flat angles C4'-P-C4' energy: -182.586
flat angles P-C4'-P energy: -106.171
tors. eta vs tors. theta energy: -199.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2285.091957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.091957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.091957 (E_RNA)
where:
Base-Base interactions energy: -1519.098
where: short stacking energy: -644.217
Base-Backbone interact. energy: -0.793
local terms energy: -765.200676
where:
bonds (distance) C4'-P energy: -156.352
bonds (distance) P-C4' energy: -155.096
flat angles C4'-P-C4' energy: -166.431
flat angles P-C4'-P energy: -114.494
tors. eta vs tors. theta energy: -172.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1900.687227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.687227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.687227 (E_RNA)
where:
Base-Base interactions energy: -1203.730
where: short stacking energy: -534.566
Base-Backbone interact. energy: -0.267
local terms energy: -696.690291
where:
bonds (distance) C4'-P energy: -151.185
bonds (distance) P-C4' energy: -146.261
flat angles C4'-P-C4' energy: -165.353
flat angles P-C4'-P energy: -108.558
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: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1446.640720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.640720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.640720 (E_RNA)
where:
Base-Base interactions energy: -874.490
where: short stacking energy: -408.781
Base-Backbone interact. energy: -1.249
local terms energy: -570.901736
where:
bonds (distance) C4'-P energy: -136.679
bonds (distance) P-C4' energy: -166.124
flat angles C4'-P-C4' energy: -119.945
flat angles P-C4'-P energy: -83.752
tors. eta vs tors. theta energy: -64.400
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1129.931013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.931013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.931013 (E_RNA)
where:
Base-Base interactions energy: -582.239
where: short stacking energy: -315.345
Base-Backbone interact. energy: 0.641
local terms energy: -548.333599
where:
bonds (distance) C4'-P energy: -159.154
bonds (distance) P-C4' energy: -173.442
flat angles C4'-P-C4' energy: -124.695
flat angles P-C4'-P energy: -83.534
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -652.679724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.679724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.679724 (E_RNA)
where:
Base-Base interactions energy: -231.699
where: short stacking energy: -165.426
Base-Backbone interact. energy: -1.334
local terms energy: -419.647073
where:
bonds (distance) C4'-P energy: -156.757
bonds (distance) P-C4' energy: -166.165
flat angles C4'-P-C4' energy: -101.137
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: 62.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -3047.688823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3047.688823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3047.688823 (E_RNA)
where:
Base-Base interactions energy: -2100.838
where: short stacking energy: -902.702
Base-Backbone interact. energy: -5.169
local terms energy: -941.681135
where:
bonds (distance) C4'-P energy: -168.492
bonds (distance) P-C4' energy: -164.068
flat angles C4'-P-C4' energy: -206.674
flat angles P-C4'-P energy: -131.282
tors. eta vs tors. theta energy: -271.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2886.720890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.720890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.720890 (E_RNA)
where:
Base-Base interactions energy: -1944.262
where: short stacking energy: -837.976
Base-Backbone interact. energy: -7.621
local terms energy: -934.837725
where:
bonds (distance) C4'-P energy: -175.031
bonds (distance) P-C4' energy: -185.669
flat angles C4'-P-C4' energy: -179.892
flat angles P-C4'-P energy: -137.479
tors. eta vs tors. theta energy: -256.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2741.832266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.832266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.832266 (E_RNA)
where:
Base-Base interactions energy: -1823.006
where: short stacking energy: -773.724
Base-Backbone interact. energy: -2.077
local terms energy: -916.748785
where:
bonds (distance) C4'-P energy: -171.553
bonds (distance) P-C4' energy: -178.853
flat angles C4'-P-C4' energy: -194.483
flat angles P-C4'-P energy: -126.828
tors. eta vs tors. theta energy: -245.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2634.217536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.217536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.217536 (E_RNA)
where:
Base-Base interactions energy: -1775.909
where: short stacking energy: -736.120
Base-Backbone interact. energy: -5.314
local terms energy: -852.994144
where:
bonds (distance) C4'-P energy: -168.201
bonds (distance) P-C4' energy: -184.904
flat angles C4'-P-C4' energy: -171.963
flat angles P-C4'-P energy: -119.258
tors. eta vs tors. theta energy: -208.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2374.126405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.126405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.126405 (E_RNA)
where:
Base-Base interactions energy: -1519.528
where: short stacking energy: -673.733
Base-Backbone interact. energy: -2.921
local terms energy: -851.677640
where:
bonds (distance) C4'-P energy: -167.878
bonds (distance) P-C4' energy: -170.592
flat angles C4'-P-C4' energy: -190.378
flat angles P-C4'-P energy: -120.506
tors. eta vs tors. theta energy: -202.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2289.671711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.671711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.671711 (E_RNA)
where:
Base-Base interactions energy: -1530.295
where: short stacking energy: -677.153
Base-Backbone interact. energy: -2.379
local terms energy: -756.997728
where:
bonds (distance) C4'-P energy: -135.735
bonds (distance) P-C4' energy: -172.220
flat angles C4'-P-C4' energy: -169.174
flat angles P-C4'-P energy: -98.757
tors. eta vs tors. theta energy: -181.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1896.114690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.114690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.114690 (E_RNA)
where:
Base-Base interactions energy: -1173.493
where: short stacking energy: -556.115
Base-Backbone interact. energy: -2.145
local terms energy: -720.476731
where:
bonds (distance) C4'-P energy: -156.823
bonds (distance) P-C4' energy: -170.610
flat angles C4'-P-C4' energy: -178.456
flat angles P-C4'-P energy: -88.429
tors. eta vs tors. theta energy: -126.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1483.061618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.061618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.061618 (E_RNA)
where:
Base-Base interactions energy: -883.084
where: short stacking energy: -423.842
Base-Backbone interact. energy: -2.770
local terms energy: -597.207798
where:
bonds (distance) C4'-P energy: -143.912
bonds (distance) P-C4' energy: -144.603
flat angles C4'-P-C4' energy: -155.811
flat angles P-C4'-P energy: -99.531
tors. eta vs tors. theta energy: -53.351
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: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1113.367808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.367808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.367808 (E_RNA)
where:
Base-Base interactions energy: -579.560
where: short stacking energy: -323.807
Base-Backbone interact. energy: 2.784
local terms energy: -536.591790
where:
bonds (distance) C4'-P energy: -141.635
bonds (distance) P-C4' energy: -171.484
flat angles C4'-P-C4' energy: -127.428
flat angles P-C4'-P energy: -89.943
tors. eta vs tors. theta energy: -6.101
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: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -718.397245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.397245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.397245 (E_RNA)
where:
Base-Base interactions energy: -279.422
where: short stacking energy: -200.935
Base-Backbone interact. energy: 1.115
local terms energy: -440.090101
where:
bonds (distance) C4'-P energy: -133.305
bonds (distance) P-C4' energy: -163.055
flat angles C4'-P-C4' energy: -127.010
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: 34.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -3069.508303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3069.508303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3069.508303 (E_RNA)
where:
Base-Base interactions energy: -2094.882
where: short stacking energy: -883.030
Base-Backbone interact. energy: -5.533
local terms energy: -969.092446
where:
bonds (distance) C4'-P energy: -175.650
bonds (distance) P-C4' energy: -205.820
flat angles C4'-P-C4' energy: -201.071
flat angles P-C4'-P energy: -123.704
tors. eta vs tors. theta energy: -262.849
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: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2934.430239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.430239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.430239 (E_RNA)
where:
Base-Base interactions energy: -2009.205
where: short stacking energy: -864.215
Base-Backbone interact. energy: -0.224
local terms energy: -925.001165
where:
bonds (distance) C4'-P energy: -164.643
bonds (distance) P-C4' energy: -179.932
flat angles C4'-P-C4' energy: -200.043
flat angles P-C4'-P energy: -129.091
tors. eta vs tors. theta energy: -251.293
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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2734.986740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.986740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.986740 (E_RNA)
where:
Base-Base interactions energy: -1843.086
where: short stacking energy: -793.441
Base-Backbone interact. energy: -3.770
local terms energy: -888.130783
where:
bonds (distance) C4'-P energy: -167.657
bonds (distance) P-C4' energy: -172.884
flat angles C4'-P-C4' energy: -194.162
flat angles P-C4'-P energy: -127.970
tors. eta vs tors. theta energy: -225.458
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: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2613.086384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.086384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.086384 (E_RNA)
where:
Base-Base interactions energy: -1751.329
where: short stacking energy: -745.771
Base-Backbone interact. energy: -3.326
local terms energy: -858.431523
where:
bonds (distance) C4'-P energy: -181.698
bonds (distance) P-C4' energy: -165.680
flat angles C4'-P-C4' energy: -186.228
flat angles P-C4'-P energy: -107.557
tors. eta vs tors. theta energy: -217.268
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: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2361.448642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.448642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.448642 (E_RNA)
where:
Base-Base interactions energy: -1574.229
where: short stacking energy: -727.216
Base-Backbone interact. energy: 3.115
local terms energy: -790.335534
where:
bonds (distance) C4'-P energy: -129.845
bonds (distance) P-C4' energy: -163.934
flat angles C4'-P-C4' energy: -162.589
flat angles P-C4'-P energy: -129.548
tors. eta vs tors. theta energy: -204.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2345.630283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.630283 (E_RNA)
where:
Base-Base interactions energy: -1560.172
where: short stacking energy: -673.055
Base-Backbone interact. energy: -0.429
local terms energy: -785.028947
where:
bonds (distance) C4'-P energy: -160.729
bonds (distance) P-C4' energy: -161.782
flat angles C4'-P-C4' energy: -173.822
flat angles P-C4'-P energy: -109.567
tors. eta vs tors. theta energy: -179.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1892.549880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.549880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.549880 (E_RNA)
where:
Base-Base interactions energy: -1204.295
where: short stacking energy: -556.992
Base-Backbone interact. energy: 5.398
local terms energy: -693.653465
where:
bonds (distance) C4'-P energy: -153.523
bonds (distance) P-C4' energy: -148.001
flat angles C4'-P-C4' energy: -156.664
flat angles P-C4'-P energy: -98.957
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: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1490.595632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.595632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.595632 (E_RNA)
where:
Base-Base interactions energy: -879.426
where: short stacking energy: -421.594
Base-Backbone interact. energy: -0.183
local terms energy: -610.987481
where:
bonds (distance) C4'-P energy: -142.327
bonds (distance) P-C4' energy: -142.471
flat angles C4'-P-C4' energy: -152.278
flat angles P-C4'-P energy: -105.446
tors. eta vs tors. theta energy: -68.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1065.893227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.893227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.893227 (E_RNA)
where:
Base-Base interactions energy: -582.908
where: short stacking energy: -324.967
Base-Backbone interact. energy: 1.677
local terms energy: -484.662149
where:
bonds (distance) C4'-P energy: -149.154
bonds (distance) P-C4' energy: -139.778
flat angles C4'-P-C4' energy: -112.755
flat angles P-C4'-P energy: -71.298
tors. eta vs tors. theta energy: -11.678
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: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -749.434747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.434747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.434747 (E_RNA)
where:
Base-Base interactions energy: -346.260
where: short stacking energy: -204.772
Base-Backbone interact. energy: 5.432
local terms energy: -408.606669
where:
bonds (distance) C4'-P energy: -141.546
bonds (distance) P-C4' energy: -157.080
flat angles C4'-P-C4' energy: -83.908
flat angles P-C4'-P energy: -72.533
tors. eta vs tors. theta energy: 46.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -3076.291582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3076.291582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3076.291582 (E_RNA)
where:
Base-Base interactions energy: -2085.607
where: short stacking energy: -892.917
Base-Backbone interact. energy: -1.303
local terms energy: -989.381541
where:
bonds (distance) C4'-P energy: -182.619
bonds (distance) P-C4' energy: -195.920
flat angles C4'-P-C4' energy: -204.764
flat angles P-C4'-P energy: -138.534
tors. eta vs tors. theta energy: -267.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2896.701800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.701800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.701800 (E_RNA)
where:
Base-Base interactions energy: -1979.737
where: short stacking energy: -842.808
Base-Backbone interact. energy: 0.978
local terms energy: -917.942310
where:
bonds (distance) C4'-P energy: -177.376
bonds (distance) P-C4' energy: -181.918
flat angles C4'-P-C4' energy: -198.332
flat angles P-C4'-P energy: -130.522
tors. eta vs tors. theta energy: -229.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2752.634079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.634079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.634079 (E_RNA)
where:
Base-Base interactions energy: -1856.845
where: short stacking energy: -803.534
Base-Backbone interact. energy: 1.710
local terms energy: -897.498726
where:
bonds (distance) C4'-P energy: -165.172
bonds (distance) P-C4' energy: -174.259
flat angles C4'-P-C4' energy: -191.295
flat angles P-C4'-P energy: -134.444
tors. eta vs tors. theta energy: -232.329
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: 180
Temperature: 1.050000
Total energy: -2541.862851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.862851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.862851 (E_RNA)
where:
Base-Base interactions energy: -1707.345
where: short stacking energy: -714.369
Base-Backbone interact. energy: -4.635
local terms energy: -829.882594
where:
bonds (distance) C4'-P energy: -166.333
bonds (distance) P-C4' energy: -164.501
flat angles C4'-P-C4' energy: -177.153
flat angles P-C4'-P energy: -111.596
tors. eta vs tors. theta energy: -210.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2391.075943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.075943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.075943 (E_RNA)
where:
Base-Base interactions energy: -1576.274
where: short stacking energy: -723.897
Base-Backbone interact. energy: -1.668
local terms energy: -813.132999
where:
bonds (distance) C4'-P energy: -147.504
bonds (distance) P-C4' energy: -160.118
flat angles C4'-P-C4' energy: -183.513
flat angles P-C4'-P energy: -120.689
tors. eta vs tors. theta energy: -201.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2343.764483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.764483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.764483 (E_RNA)
where:
Base-Base interactions energy: -1561.609
where: short stacking energy: -680.523
Base-Backbone interact. energy: -3.942
local terms energy: -778.213689
where:
bonds (distance) C4'-P energy: -155.577
bonds (distance) P-C4' energy: -150.236
flat angles C4'-P-C4' energy: -181.506
flat angles P-C4'-P energy: -105.228
tors. eta vs tors. theta energy: -185.667
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1790.960894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.960894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.960894 (E_RNA)
where:
Base-Base interactions energy: -1099.913
where: short stacking energy: -478.322
Base-Backbone interact. energy: -3.273
local terms energy: -687.774797
where:
bonds (distance) C4'-P energy: -163.351
bonds (distance) P-C4' energy: -163.159
flat angles C4'-P-C4' energy: -149.096
flat angles P-C4'-P energy: -111.312
tors. eta vs tors. theta energy: -100.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1476.927775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.927775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.927775 (E_RNA)
where:
Base-Base interactions energy: -894.113
where: short stacking energy: -413.302
Base-Backbone interact. energy: -4.567
local terms energy: -578.248215
where:
bonds (distance) C4'-P energy: -146.234
bonds (distance) P-C4' energy: -146.473
flat angles C4'-P-C4' energy: -143.630
flat angles P-C4'-P energy: -79.281
tors. eta vs tors. theta energy: -62.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1111.676254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.676254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.676254 (E_RNA)
where:
Base-Base interactions energy: -569.680
where: short stacking energy: -309.272
Base-Backbone interact. energy: 1.820
local terms energy: -543.815769
where:
bonds (distance) C4'-P energy: -136.905
bonds (distance) P-C4' energy: -144.441
flat angles C4'-P-C4' energy: -138.819
flat angles P-C4'-P energy: -107.794
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -700.271073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.271073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.271073 (E_RNA)
where:
Base-Base interactions energy: -252.359
where: short stacking energy: -188.058
Base-Backbone interact. energy: 1.737
local terms energy: -449.649563
where:
bonds (distance) C4'-P energy: -142.653
bonds (distance) P-C4' energy: -150.029
flat angles C4'-P-C4' energy: -109.858
flat angles P-C4'-P energy: -69.449
tors. eta vs tors. theta energy: 22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -3081.612147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3081.612147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3081.612147 (E_RNA)
where:
Base-Base interactions energy: -2102.510
where: short stacking energy: -859.736
Base-Backbone interact. energy: -3.618
local terms energy: -975.484056
where:
bonds (distance) C4'-P energy: -179.877
bonds (distance) P-C4' energy: -200.333
flat angles C4'-P-C4' energy: -205.168
flat angles P-C4'-P energy: -119.519
tors. eta vs tors. theta energy: -270.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2907.861392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.861392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.861392 (E_RNA)
where:
Base-Base interactions energy: -1963.217
where: short stacking energy: -836.511
Base-Backbone interact. energy: -7.245
local terms energy: -937.399314
where:
bonds (distance) C4'-P energy: -177.537
bonds (distance) P-C4' energy: -178.196
flat angles C4'-P-C4' energy: -196.908
flat angles P-C4'-P energy: -138.150
tors. eta vs tors. theta energy: -246.609
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: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2748.854344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.854344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.854344 (E_RNA)
where:
Base-Base interactions energy: -1875.985
where: short stacking energy: -800.918
Base-Backbone interact. energy: 4.790
local terms energy: -877.659711
where:
bonds (distance) C4'-P energy: -167.855
bonds (distance) P-C4' energy: -166.714
flat angles C4'-P-C4' energy: -187.327
flat angles P-C4'-P energy: -128.049
tors. eta vs tors. theta energy: -227.714
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: 181
Temperature: 1.050000
Total energy: -2605.594154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.594154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.594154 (E_RNA)
where:
Base-Base interactions energy: -1738.135
where: short stacking energy: -719.284
Base-Backbone interact. energy: -4.126
local terms energy: -863.332659
where:
bonds (distance) C4'-P energy: -159.278
bonds (distance) P-C4' energy: -177.569
flat angles C4'-P-C4' energy: -179.702
flat angles P-C4'-P energy: -122.300
tors. eta vs tors. theta energy: -224.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2403.409537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.409537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.409537 (E_RNA)
where:
Base-Base interactions energy: -1612.505
where: short stacking energy: -733.268
Base-Backbone interact. energy: -2.730
local terms energy: -788.174388
where:
bonds (distance) C4'-P energy: -129.863
bonds (distance) P-C4' energy: -163.340
flat angles C4'-P-C4' energy: -174.073
flat angles P-C4'-P energy: -118.818
tors. eta vs tors. theta energy: -202.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2373.884328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.884328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.884328 (E_RNA)
where:
Base-Base interactions energy: -1575.879
where: short stacking energy: -679.155
Base-Backbone interact. energy: -5.490
local terms energy: -792.515896
where:
bonds (distance) C4'-P energy: -158.124
bonds (distance) P-C4' energy: -163.851
flat angles C4'-P-C4' energy: -175.060
flat angles P-C4'-P energy: -104.193
tors. eta vs tors. theta energy: -191.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1708.713216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.713216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.713216 (E_RNA)
where:
Base-Base interactions energy: -1070.807
where: short stacking energy: -475.635
Base-Backbone interact. energy: 3.949
local terms energy: -641.855181
where:
bonds (distance) C4'-P energy: -141.625
bonds (distance) P-C4' energy: -163.378
flat angles C4'-P-C4' energy: -156.162
flat angles P-C4'-P energy: -102.455
tors. eta vs tors. theta energy: -78.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1480.355212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.355212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.355212 (E_RNA)
where:
Base-Base interactions energy: -889.896
where: short stacking energy: -422.698
Base-Backbone interact. energy: 2.776
local terms energy: -593.235061
where:
bonds (distance) C4'-P energy: -158.636
bonds (distance) P-C4' energy: -143.219
flat angles C4'-P-C4' energy: -155.267
flat angles P-C4'-P energy: -76.754
tors. eta vs tors. theta energy: -59.360
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: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1159.480420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.480420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.480420 (E_RNA)
where:
Base-Base interactions energy: -629.461
where: short stacking energy: -318.981
Base-Backbone interact. energy: 2.075
local terms energy: -532.093653
where:
bonds (distance) C4'-P energy: -148.498
bonds (distance) P-C4' energy: -151.240
flat angles C4'-P-C4' energy: -144.748
flat angles P-C4'-P energy: -72.670
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -712.050474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.050474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.050474 (E_RNA)
where:
Base-Base interactions energy: -268.862
where: short stacking energy: -191.495
Base-Backbone interact. energy: 8.463
local terms energy: -451.651741
where:
bonds (distance) C4'-P energy: -131.618
bonds (distance) P-C4' energy: -149.871
flat angles C4'-P-C4' energy: -107.135
flat angles P-C4'-P energy: -95.011
tors. eta vs tors. theta energy: 31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -3084.689665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3084.689665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3084.689665 (E_RNA)
where:
Base-Base interactions energy: -2116.252
where: short stacking energy: -890.645
Base-Backbone interact. energy: -1.211
local terms energy: -967.226822
where:
bonds (distance) C4'-P energy: -167.056
bonds (distance) P-C4' energy: -189.699
flat angles C4'-P-C4' energy: -205.929
flat angles P-C4'-P energy: -131.963
tors. eta vs tors. theta energy: -272.580
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: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2946.984595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.984595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.984595 (E_RNA)
where:
Base-Base interactions energy: -2034.276
where: short stacking energy: -844.557
Base-Backbone interact. energy: 2.640
local terms energy: -915.348900
where:
bonds (distance) C4'-P energy: -173.195
bonds (distance) P-C4' energy: -168.414
flat angles C4'-P-C4' energy: -196.498
flat angles P-C4'-P energy: -118.070
tors. eta vs tors. theta energy: -259.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2718.147667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.147667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.147667 (E_RNA)
where:
Base-Base interactions energy: -1858.603
where: short stacking energy: -797.460
Base-Backbone interact. energy: -3.138
local terms energy: -856.406715
where:
bonds (distance) C4'-P energy: -161.833
bonds (distance) P-C4' energy: -178.546
flat angles C4'-P-C4' energy: -184.623
flat angles P-C4'-P energy: -119.275
tors. eta vs tors. theta energy: -212.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2641.338321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.338321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.338321 (E_RNA)
where:
Base-Base interactions energy: -1792.545
where: short stacking energy: -738.442
Base-Backbone interact. energy: 3.747
local terms energy: -852.539529
where:
bonds (distance) C4'-P energy: -166.055
bonds (distance) P-C4' energy: -153.142
flat angles C4'-P-C4' energy: -186.342
flat angles P-C4'-P energy: -118.847
tors. eta vs tors. theta energy: -228.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2352.252298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.252298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.252298 (E_RNA)
where:
Base-Base interactions energy: -1540.488
where: short stacking energy: -698.995
Base-Backbone interact. energy: -3.110
local terms energy: -808.654407
where:
bonds (distance) C4'-P energy: -158.237
bonds (distance) P-C4' energy: -151.487
flat angles C4'-P-C4' energy: -177.243
flat angles P-C4'-P energy: -116.346
tors. eta vs tors. theta energy: -205.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2273.212414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.212414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.212414 (E_RNA)
where:
Base-Base interactions energy: -1506.137
where: short stacking energy: -652.284
Base-Backbone interact. energy: 2.721
local terms energy: -769.796447
where:
bonds (distance) C4'-P energy: -152.336
bonds (distance) P-C4' energy: -172.753
flat angles C4'-P-C4' energy: -173.661
flat angles P-C4'-P energy: -103.301
tors. eta vs tors. theta energy: -167.746
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: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1725.359230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.359230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.359230 (E_RNA)
where:
Base-Base interactions energy: -1031.005
where: short stacking energy: -516.563
Base-Backbone interact. energy: 0.264
local terms energy: -694.618017
where:
bonds (distance) C4'-P energy: -162.591
bonds (distance) P-C4' energy: -154.578
flat angles C4'-P-C4' energy: -159.192
flat angles P-C4'-P energy: -99.500
tors. eta vs tors. theta energy: -118.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1534.054687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.054687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.054687 (E_RNA)
where:
Base-Base interactions energy: -967.317
where: short stacking energy: -465.858
Base-Backbone interact. energy: 5.446
local terms energy: -572.183718
where:
bonds (distance) C4'-P energy: -131.235
bonds (distance) P-C4' energy: -145.161
flat angles C4'-P-C4' energy: -133.372
flat angles P-C4'-P energy: -99.936
tors. eta vs tors. theta energy: -62.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1144.788700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.788700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.788700 (E_RNA)
where:
Base-Base interactions energy: -629.800
where: short stacking energy: -302.298
Base-Backbone interact. energy: 1.616
local terms energy: -516.605383
where:
bonds (distance) C4'-P energy: -136.634
bonds (distance) P-C4' energy: -147.286
flat angles C4'-P-C4' energy: -125.391
flat angles P-C4'-P energy: -91.377
tors. eta vs tors. theta energy: -15.918
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: 182
Temperature: 1.350000
Total energy: -659.977377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.977377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.977377 (E_RNA)
where:
Base-Base interactions energy: -241.855
where: short stacking energy: -173.959
Base-Backbone interact. energy: 4.127
local terms energy: -422.249242
where:
bonds (distance) C4'-P energy: -142.400
bonds (distance) P-C4' energy: -134.029
flat angles C4'-P-C4' energy: -129.772
flat angles P-C4'-P energy: -54.387
tors. eta vs tors. theta energy: 38.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -3088.970778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3088.970778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3088.970778 (E_RNA)
where:
Base-Base interactions energy: -2119.916
where: short stacking energy: -893.544
Base-Backbone interact. energy: -2.423
local terms energy: -966.631198
where:
bonds (distance) C4'-P energy: -169.319
bonds (distance) P-C4' energy: -187.810
flat angles C4'-P-C4' energy: -212.077
flat angles P-C4'-P energy: -123.677
tors. eta vs tors. theta energy: -273.749
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: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2939.373142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.373142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.373142 (E_RNA)
where:
Base-Base interactions energy: -2024.764
where: short stacking energy: -824.889
Base-Backbone interact. energy: -7.311
local terms energy: -907.297875
where:
bonds (distance) C4'-P energy: -163.653
bonds (distance) P-C4' energy: -174.187
flat angles C4'-P-C4' energy: -193.173
flat angles P-C4'-P energy: -136.829
tors. eta vs tors. theta energy: -239.456
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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2728.049550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.049550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.049550 (E_RNA)
where:
Base-Base interactions energy: -1834.760
where: short stacking energy: -776.956
Base-Backbone interact. energy: -0.953
local terms energy: -892.336168
where:
bonds (distance) C4'-P energy: -173.370
bonds (distance) P-C4' energy: -159.483
flat angles C4'-P-C4' energy: -204.501
flat angles P-C4'-P energy: -115.661
tors. eta vs tors. theta energy: -239.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2654.558607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.558607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.558607 (E_RNA)
where:
Base-Base interactions energy: -1787.450
where: short stacking energy: -768.936
Base-Backbone interact. energy: -4.729
local terms energy: -862.379640
where:
bonds (distance) C4'-P energy: -150.927
bonds (distance) P-C4' energy: -152.043
flat angles C4'-P-C4' energy: -194.230
flat angles P-C4'-P energy: -131.650
tors. eta vs tors. theta energy: -233.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2328.951116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.951116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.951116 (E_RNA)
where:
Base-Base interactions energy: -1496.638
where: short stacking energy: -688.292
Base-Backbone interact. energy: -2.305
local terms energy: -830.007965
where:
bonds (distance) C4'-P energy: -160.734
bonds (distance) P-C4' energy: -163.143
flat angles C4'-P-C4' energy: -182.756
flat angles P-C4'-P energy: -125.252
tors. eta vs tors. theta energy: -198.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2190.964920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.964920 (E_RNA)
where:
Base-Base interactions energy: -1471.883
where: short stacking energy: -644.420
Base-Backbone interact. energy: -3.395
local terms energy: -715.686303
where:
bonds (distance) C4'-P energy: -159.784
bonds (distance) P-C4' energy: -153.332
flat angles C4'-P-C4' energy: -155.587
flat angles P-C4'-P energy: -101.265
tors. eta vs tors. theta energy: -145.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1844.835194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.835194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.835194 (E_RNA)
where:
Base-Base interactions energy: -1135.486
where: short stacking energy: -518.851
Base-Backbone interact. energy: -4.605
local terms energy: -704.743654
where:
bonds (distance) C4'-P energy: -164.487
bonds (distance) P-C4' energy: -165.188
flat angles C4'-P-C4' energy: -156.661
flat angles P-C4'-P energy: -101.227
tors. eta vs tors. theta energy: -117.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1521.677226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.677226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.677226 (E_RNA)
where:
Base-Base interactions energy: -925.302
where: short stacking energy: -421.055
Base-Backbone interact. energy: 3.037
local terms energy: -599.411323
where:
bonds (distance) C4'-P energy: -144.496
bonds (distance) P-C4' energy: -149.416
flat angles C4'-P-C4' energy: -148.652
flat angles P-C4'-P energy: -95.617
tors. eta vs tors. theta energy: -61.230
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: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1100.603139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.603139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.603139 (E_RNA)
where:
Base-Base interactions energy: -604.659
where: short stacking energy: -321.374
Base-Backbone interact. energy: 1.046
local terms energy: -496.990507
where:
bonds (distance) C4'-P energy: -156.769
bonds (distance) P-C4' energy: -148.112
flat angles C4'-P-C4' energy: -111.341
flat angles P-C4'-P energy: -65.137
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -673.571946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.571946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.571946 (E_RNA)
where:
Base-Base interactions energy: -269.499
where: short stacking energy: -184.792
Base-Backbone interact. energy: 7.287
local terms energy: -411.359692
where:
bonds (distance) C4'-P energy: -127.873
bonds (distance) P-C4' energy: -157.711
flat angles C4'-P-C4' energy: -109.477
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: 53.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -3099.666764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3099.666764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3099.666764 (E_RNA)
where:
Base-Base interactions energy: -2119.637
where: short stacking energy: -878.742
Base-Backbone interact. energy: -0.937
local terms energy: -979.092842
where:
bonds (distance) C4'-P energy: -176.384
bonds (distance) P-C4' energy: -190.748
flat angles C4'-P-C4' energy: -199.061
flat angles P-C4'-P energy: -135.293
tors. eta vs tors. theta energy: -277.607
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: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2929.892966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.892966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.892966 (E_RNA)
where:
Base-Base interactions energy: -2004.236
where: short stacking energy: -863.620
Base-Backbone interact. energy: -7.426
local terms energy: -918.230760
where:
bonds (distance) C4'-P energy: -172.039
bonds (distance) P-C4' energy: -180.741
flat angles C4'-P-C4' energy: -186.891
flat angles P-C4'-P energy: -125.066
tors. eta vs tors. theta energy: -253.493
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: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2751.023229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.023229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.023229 (E_RNA)
where:
Base-Base interactions energy: -1841.184
where: short stacking energy: -796.305
Base-Backbone interact. energy: -3.777
local terms energy: -906.061506
where:
bonds (distance) C4'-P energy: -174.265
bonds (distance) P-C4' energy: -182.839
flat angles C4'-P-C4' energy: -194.970
flat angles P-C4'-P energy: -116.801
tors. eta vs tors. theta energy: -237.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2597.999949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.999949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.999949 (E_RNA)
where:
Base-Base interactions energy: -1743.943
where: short stacking energy: -741.996
Base-Backbone interact. energy: -0.863
local terms energy: -853.194447
where:
bonds (distance) C4'-P energy: -148.516
bonds (distance) P-C4' energy: -176.919
flat angles C4'-P-C4' energy: -193.609
flat angles P-C4'-P energy: -116.862
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: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2305.712551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.712551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.712551 (E_RNA)
where:
Base-Base interactions energy: -1520.065
where: short stacking energy: -701.875
Base-Backbone interact. energy: -3.385
local terms energy: -782.262485
where:
bonds (distance) C4'-P energy: -145.245
bonds (distance) P-C4' energy: -161.021
flat angles C4'-P-C4' energy: -173.575
flat angles P-C4'-P energy: -117.396
tors. eta vs tors. theta energy: -185.026
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: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2226.753565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.753565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.753565 (E_RNA)
where:
Base-Base interactions energy: -1471.858
where: short stacking energy: -637.206
Base-Backbone interact. energy: -2.653
local terms energy: -752.242792
where:
bonds (distance) C4'-P energy: -152.528
bonds (distance) P-C4' energy: -145.605
flat angles C4'-P-C4' energy: -171.456
flat angles P-C4'-P energy: -107.206
tors. eta vs tors. theta energy: -175.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1785.517987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.517987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.517987 (E_RNA)
where:
Base-Base interactions energy: -1154.461
where: short stacking energy: -544.323
Base-Backbone interact. energy: -4.989
local terms energy: -626.068292
where:
bonds (distance) C4'-P energy: -126.684
bonds (distance) P-C4' energy: -144.255
flat angles C4'-P-C4' energy: -165.498
flat angles P-C4'-P energy: -80.804
tors. eta vs tors. theta energy: -108.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1550.194747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.194747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.194747 (E_RNA)
where:
Base-Base interactions energy: -959.303
where: short stacking energy: -437.676
Base-Backbone interact. energy: 2.216
local terms energy: -593.108245
where:
bonds (distance) C4'-P energy: -160.519
bonds (distance) P-C4' energy: -171.282
flat angles C4'-P-C4' energy: -116.255
flat angles P-C4'-P energy: -78.427
tors. eta vs tors. theta energy: -66.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1165.604994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.604994 (E_RNA)
where:
Base-Base interactions energy: -638.815
where: short stacking energy: -315.164
Base-Backbone interact. energy: 3.591
local terms energy: -530.380864
where:
bonds (distance) C4'-P energy: -130.856
bonds (distance) P-C4' energy: -144.397
flat angles C4'-P-C4' energy: -154.419
flat angles P-C4'-P energy: -73.186
tors. eta vs tors. theta energy: -27.523
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: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -649.674257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.674257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.674257 (E_RNA)
where:
Base-Base interactions energy: -214.154
where: short stacking energy: -170.484
Base-Backbone interact. energy: 0.857
local terms energy: -436.377202
where:
bonds (distance) C4'-P energy: -159.586
bonds (distance) P-C4' energy: -168.486
flat angles C4'-P-C4' energy: -100.965
flat angles P-C4'-P energy: -63.447
tors. eta vs tors. theta energy: 56.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -3108.681521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3108.681521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3108.681521 (E_RNA)
where:
Base-Base interactions energy: -2154.390
where: short stacking energy: -926.024
Base-Backbone interact. energy: -4.222
local terms energy: -950.069796
where:
bonds (distance) C4'-P energy: -180.607
bonds (distance) P-C4' energy: -171.679
flat angles C4'-P-C4' energy: -205.437
flat angles P-C4'-P energy: -121.120
tors. eta vs tors. theta energy: -271.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2914.315150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.315150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.315150 (E_RNA)
where:
Base-Base interactions energy: -1995.975
where: short stacking energy: -863.200
Base-Backbone interact. energy: -2.333
local terms energy: -916.007073
where:
bonds (distance) C4'-P energy: -157.791
bonds (distance) P-C4' energy: -168.081
flat angles C4'-P-C4' energy: -202.621
flat angles P-C4'-P energy: -136.122
tors. eta vs tors. theta energy: -251.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2719.315407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.315407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.315407 (E_RNA)
where:
Base-Base interactions energy: -1839.874
where: short stacking energy: -774.509
Base-Backbone interact. energy: -3.020
local terms energy: -876.421378
where:
bonds (distance) C4'-P energy: -177.634
bonds (distance) P-C4' energy: -158.601
flat angles C4'-P-C4' energy: -189.400
flat angles P-C4'-P energy: -112.723
tors. eta vs tors. theta energy: -238.065
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: 185
Temperature: 1.050000
Total energy: -2603.225678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.225678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.225678 (E_RNA)
where:
Base-Base interactions energy: -1736.333
where: short stacking energy: -758.956
Base-Backbone interact. energy: -4.226
local terms energy: -862.666540
where:
bonds (distance) C4'-P energy: -163.691
bonds (distance) P-C4' energy: -166.171
flat angles C4'-P-C4' energy: -189.198
flat angles P-C4'-P energy: -125.981
tors. eta vs tors. theta energy: -217.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2309.833801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.833801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.833801 (E_RNA)
where:
Base-Base interactions energy: -1521.396
where: short stacking energy: -687.703
Base-Backbone interact. energy: -0.278
local terms energy: -788.159331
where:
bonds (distance) C4'-P energy: -153.277
bonds (distance) P-C4' energy: -165.313
flat angles C4'-P-C4' energy: -163.723
flat angles P-C4'-P energy: -120.236
tors. eta vs tors. theta energy: -185.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2206.187309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.187309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.187309 (E_RNA)
where:
Base-Base interactions energy: -1437.490
where: short stacking energy: -626.347
Base-Backbone interact. energy: 2.531
local terms energy: -771.228327
where:
bonds (distance) C4'-P energy: -148.422
bonds (distance) P-C4' energy: -190.717
flat angles C4'-P-C4' energy: -169.803
flat angles P-C4'-P energy: -103.739
tors. eta vs tors. theta energy: -158.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1824.313653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.313653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.313653 (E_RNA)
where:
Base-Base interactions energy: -1132.109
where: short stacking energy: -503.160
Base-Backbone interact. energy: -0.405
local terms energy: -691.800004
where:
bonds (distance) C4'-P energy: -147.881
bonds (distance) P-C4' energy: -143.579
flat angles C4'-P-C4' energy: -163.619
flat angles P-C4'-P energy: -119.367
tors. eta vs tors. theta energy: -117.354
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: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1531.871261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.871261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.871261 (E_RNA)
where:
Base-Base interactions energy: -937.575
where: short stacking energy: -451.303
Base-Backbone interact. energy: -2.212
local terms energy: -592.084905
where:
bonds (distance) C4'-P energy: -142.226
bonds (distance) P-C4' energy: -133.763
flat angles C4'-P-C4' energy: -135.627
flat angles P-C4'-P energy: -93.585
tors. eta vs tors. theta energy: -86.884
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1159.605191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.605191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.605191 (E_RNA)
where:
Base-Base interactions energy: -666.066
where: short stacking energy: -334.297
Base-Backbone interact. energy: -2.289
local terms energy: -491.249928
where:
bonds (distance) C4'-P energy: -142.492
bonds (distance) P-C4' energy: -153.085
flat angles C4'-P-C4' energy: -114.595
flat angles P-C4'-P energy: -60.698
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -696.727901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.727901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.727901 (E_RNA)
where:
Base-Base interactions energy: -211.089
where: short stacking energy: -163.084
Base-Backbone interact. energy: -0.593
local terms energy: -485.046304
where:
bonds (distance) C4'-P energy: -154.529
bonds (distance) P-C4' energy: -156.462
flat angles C4'-P-C4' energy: -113.968
flat angles P-C4'-P energy: -93.192
tors. eta vs tors. theta energy: 33.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -3082.604924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3082.604924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3082.604924 (E_RNA)
where:
Base-Base interactions energy: -2125.076
where: short stacking energy: -870.592
Base-Backbone interact. energy: -3.921
local terms energy: -953.608736
where:
bonds (distance) C4'-P energy: -174.558
bonds (distance) P-C4' energy: -189.759
flat angles C4'-P-C4' energy: -186.610
flat angles P-C4'-P energy: -142.379
tors. eta vs tors. theta energy: -260.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2926.992110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.992110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.992110 (E_RNA)
where:
Base-Base interactions energy: -1978.871
where: short stacking energy: -834.669
Base-Backbone interact. energy: -4.078
local terms energy: -944.043082
where:
bonds (distance) C4'-P energy: -182.931
bonds (distance) P-C4' energy: -169.139
flat angles C4'-P-C4' energy: -206.712
flat angles P-C4'-P energy: -138.745
tors. eta vs tors. theta energy: -246.516
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: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2719.783832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.783832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.783832 (E_RNA)
where:
Base-Base interactions energy: -1827.912
where: short stacking energy: -781.788
Base-Backbone interact. energy: -0.135
local terms energy: -891.736704
where:
bonds (distance) C4'-P energy: -175.619
bonds (distance) P-C4' energy: -165.209
flat angles C4'-P-C4' energy: -193.420
flat angles P-C4'-P energy: -129.305
tors. eta vs tors. theta energy: -228.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2641.890733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.890733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.890733 (E_RNA)
where:
Base-Base interactions energy: -1763.274
where: short stacking energy: -760.016
Base-Backbone interact. energy: -4.600
local terms energy: -874.016584
where:
bonds (distance) C4'-P energy: -167.425
bonds (distance) P-C4' energy: -173.888
flat angles C4'-P-C4' energy: -187.778
flat angles P-C4'-P energy: -124.958
tors. eta vs tors. theta energy: -219.968
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: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2360.272739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.272739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.272739 (E_RNA)
where:
Base-Base interactions energy: -1539.552
where: short stacking energy: -717.664
Base-Backbone interact. energy: 7.311
local terms energy: -828.031851
where:
bonds (distance) C4'-P energy: -147.826
bonds (distance) P-C4' energy: -190.851
flat angles C4'-P-C4' energy: -180.224
flat angles P-C4'-P energy: -109.553
tors. eta vs tors. theta energy: -199.578
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2310.721841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.721841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.721841 (E_RNA)
where:
Base-Base interactions energy: -1537.688
where: short stacking energy: -671.239
Base-Backbone interact. energy: -3.054
local terms energy: -769.978962
where:
bonds (distance) C4'-P energy: -140.813
bonds (distance) P-C4' energy: -162.434
flat angles C4'-P-C4' energy: -163.539
flat angles P-C4'-P energy: -110.958
tors. eta vs tors. theta energy: -192.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1836.337352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.337352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.337352 (E_RNA)
where:
Base-Base interactions energy: -1190.001
where: short stacking energy: -520.914
Base-Backbone interact. energy: -0.914
local terms energy: -645.422322
where:
bonds (distance) C4'-P energy: -148.106
bonds (distance) P-C4' energy: -148.704
flat angles C4'-P-C4' energy: -142.847
flat angles P-C4'-P energy: -97.626
tors. eta vs tors. theta energy: -108.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1595.705714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.705714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.705714 (E_RNA)
where:
Base-Base interactions energy: -978.223
where: short stacking energy: -461.503
Base-Backbone interact. energy: 1.593
local terms energy: -619.075380
where:
bonds (distance) C4'-P energy: -139.272
bonds (distance) P-C4' energy: -133.561
flat angles C4'-P-C4' energy: -166.227
flat angles P-C4'-P energy: -92.284
tors. eta vs tors. theta energy: -87.731
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: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1162.472383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.472383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.472383 (E_RNA)
where:
Base-Base interactions energy: -643.126
where: short stacking energy: -319.332
Base-Backbone interact. energy: 1.383
local terms energy: -520.729569
where:
bonds (distance) C4'-P energy: -132.608
bonds (distance) P-C4' energy: -178.140
flat angles C4'-P-C4' energy: -111.022
flat angles P-C4'-P energy: -86.134
tors. eta vs tors. theta energy: -12.826
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: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -681.165888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.165888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.165888 (E_RNA)
where:
Base-Base interactions energy: -267.786
where: short stacking energy: -177.664
Base-Backbone interact. energy: -2.487
local terms energy: -410.892756
where:
bonds (distance) C4'-P energy: -140.087
bonds (distance) P-C4' energy: -142.231
flat angles C4'-P-C4' energy: -124.077
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: 52.138
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: 187
Temperature: 0.900000
Total energy: -3091.402852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3091.402852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3091.402852 (E_RNA)
where:
Base-Base interactions energy: -2131.466
where: short stacking energy: -901.385
Base-Backbone interact. energy: -5.385
local terms energy: -954.551764
where:
bonds (distance) C4'-P energy: -158.440
bonds (distance) P-C4' energy: -170.704
flat angles C4'-P-C4' energy: -211.730
flat angles P-C4'-P energy: -134.928
tors. eta vs tors. theta energy: -278.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2885.643254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.643254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.643254 (E_RNA)
where:
Base-Base interactions energy: -1985.507
where: short stacking energy: -838.837
Base-Backbone interact. energy: -0.494
local terms energy: -899.641879
where:
bonds (distance) C4'-P energy: -148.530
bonds (distance) P-C4' energy: -197.783
flat angles C4'-P-C4' energy: -194.304
flat angles P-C4'-P energy: -124.542
tors. eta vs tors. theta energy: -234.482
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: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2733.449981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.449981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.449981 (E_RNA)
where:
Base-Base interactions energy: -1856.582
where: short stacking energy: -796.145
Base-Backbone interact. energy: 4.278
local terms energy: -881.146533
where:
bonds (distance) C4'-P energy: -159.498
bonds (distance) P-C4' energy: -172.681
flat angles C4'-P-C4' energy: -196.544
flat angles P-C4'-P energy: -122.446
tors. eta vs tors. theta energy: -229.978
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: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2579.303907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.303907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.303907 (E_RNA)
where:
Base-Base interactions energy: -1719.179
where: short stacking energy: -714.058
Base-Backbone interact. energy: -5.064
local terms energy: -855.061797
where:
bonds (distance) C4'-P energy: -143.897
bonds (distance) P-C4' energy: -179.607
flat angles C4'-P-C4' energy: -188.428
flat angles P-C4'-P energy: -110.525
tors. eta vs tors. theta energy: -232.604
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: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2411.787299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.787299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.787299 (E_RNA)
where:
Base-Base interactions energy: -1569.898
where: short stacking energy: -678.352
Base-Backbone interact. energy: 0.765
local terms energy: -842.654469
where:
bonds (distance) C4'-P energy: -168.325
bonds (distance) P-C4' energy: -174.769
flat angles C4'-P-C4' energy: -181.998
flat angles P-C4'-P energy: -124.417
tors. eta vs tors. theta energy: -193.145
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2292.788523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.788523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.788523 (E_RNA)
where:
Base-Base interactions energy: -1515.084
where: short stacking energy: -654.341
Base-Backbone interact. energy: 5.907
local terms energy: -783.611340
where:
bonds (distance) C4'-P energy: -155.378
bonds (distance) P-C4' energy: -162.295
flat angles C4'-P-C4' energy: -186.501
flat angles P-C4'-P energy: -100.756
tors. eta vs tors. theta energy: -178.681
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: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1843.972801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.972801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.972801 (E_RNA)
where:
Base-Base interactions energy: -1157.953
where: short stacking energy: -509.281
Base-Backbone interact. energy: -1.804
local terms energy: -684.215515
where:
bonds (distance) C4'-P energy: -148.235
bonds (distance) P-C4' energy: -163.528
flat angles C4'-P-C4' energy: -156.118
flat angles P-C4'-P energy: -98.376
tors. eta vs tors. theta energy: -117.959
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: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1560.588878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.588878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.588878 (E_RNA)
where:
Base-Base interactions energy: -959.911
where: short stacking energy: -418.335
Base-Backbone interact. energy: 1.529
local terms energy: -602.206579
where:
bonds (distance) C4'-P energy: -156.853
bonds (distance) P-C4' energy: -136.552
flat angles C4'-P-C4' energy: -157.309
flat angles P-C4'-P energy: -92.824
tors. eta vs tors. theta energy: -58.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1086.048410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.048410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.048410 (E_RNA)
where:
Base-Base interactions energy: -585.933
where: short stacking energy: -270.870
Base-Backbone interact. energy: 2.991
local terms energy: -503.106027
where:
bonds (distance) C4'-P energy: -139.323
bonds (distance) P-C4' energy: -154.626
flat angles C4'-P-C4' energy: -118.675
flat angles P-C4'-P energy: -91.536
tors. eta vs tors. theta energy: 1.054
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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -708.252489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.252489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.252489 (E_RNA)
where:
Base-Base interactions energy: -292.322
where: short stacking energy: -223.632
Base-Backbone interact. energy: 2.150
local terms energy: -418.080623
where:
bonds (distance) C4'-P energy: -132.475
bonds (distance) P-C4' energy: -149.354
flat angles C4'-P-C4' energy: -118.737
flat angles P-C4'-P energy: -46.912
tors. eta vs tors. theta energy: 29.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -3097.637927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3097.637927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3097.637927 (E_RNA)
where:
Base-Base interactions energy: -2124.087
where: short stacking energy: -897.022
Base-Backbone interact. energy: -4.445
local terms energy: -969.105780
where:
bonds (distance) C4'-P energy: -171.121
bonds (distance) P-C4' energy: -187.182
flat angles C4'-P-C4' energy: -210.984
flat angles P-C4'-P energy: -132.985
tors. eta vs tors. theta energy: -266.833
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: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2890.031693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.031693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.031693 (E_RNA)
where:
Base-Base interactions energy: -1951.276
where: short stacking energy: -841.680
Base-Backbone interact. energy: -6.339
local terms energy: -932.416925
where:
bonds (distance) C4'-P energy: -178.380
bonds (distance) P-C4' energy: -180.271
flat angles C4'-P-C4' energy: -178.648
flat angles P-C4'-P energy: -146.127
tors. eta vs tors. theta energy: -248.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2722.029479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.029479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.029479 (E_RNA)
where:
Base-Base interactions energy: -1860.896
where: short stacking energy: -798.348
Base-Backbone interact. energy: -0.653
local terms energy: -860.479674
where:
bonds (distance) C4'-P energy: -166.305
bonds (distance) P-C4' energy: -149.263
flat angles C4'-P-C4' energy: -191.250
flat angles P-C4'-P energy: -120.857
tors. eta vs tors. theta energy: -232.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2602.459166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.459166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.459166 (E_RNA)
where:
Base-Base interactions energy: -1754.138
where: short stacking energy: -734.017
Base-Backbone interact. energy: -1.507
local terms energy: -846.813521
where:
bonds (distance) C4'-P energy: -137.367
bonds (distance) P-C4' energy: -170.861
flat angles C4'-P-C4' energy: -204.669
flat angles P-C4'-P energy: -107.074
tors. eta vs tors. theta energy: -226.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2380.194479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.194479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.194479 (E_RNA)
where:
Base-Base interactions energy: -1589.420
where: short stacking energy: -701.981
Base-Backbone interact. energy: -4.631
local terms energy: -786.144104
where:
bonds (distance) C4'-P energy: -149.562
bonds (distance) P-C4' energy: -160.702
flat angles C4'-P-C4' energy: -173.440
flat angles P-C4'-P energy: -108.322
tors. eta vs tors. theta energy: -194.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2289.633146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.633146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.633146 (E_RNA)
where:
Base-Base interactions energy: -1490.339
where: short stacking energy: -648.832
Base-Backbone interact. energy: -3.520
local terms energy: -795.774273
where:
bonds (distance) C4'-P energy: -165.529
bonds (distance) P-C4' energy: -172.423
flat angles C4'-P-C4' energy: -184.207
flat angles P-C4'-P energy: -108.469
tors. eta vs tors. theta energy: -165.146
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1823.648537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.648537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.648537 (E_RNA)
where:
Base-Base interactions energy: -1141.283
where: short stacking energy: -522.965
Base-Backbone interact. energy: -4.157
local terms energy: -678.208629
where:
bonds (distance) C4'-P energy: -169.327
bonds (distance) P-C4' energy: -147.658
flat angles C4'-P-C4' energy: -156.222
flat angles P-C4'-P energy: -84.147
tors. eta vs tors. theta energy: -120.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1561.348315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.348315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.348315 (E_RNA)
where:
Base-Base interactions energy: -959.597
where: short stacking energy: -452.495
Base-Backbone interact. energy: 7.112
local terms energy: -608.863291
where:
bonds (distance) C4'-P energy: -147.036
bonds (distance) P-C4' energy: -152.025
flat angles C4'-P-C4' energy: -148.841
flat angles P-C4'-P energy: -97.940
tors. eta vs tors. theta energy: -63.022
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: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1079.893446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.893446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.893446 (E_RNA)
where:
Base-Base interactions energy: -543.741
where: short stacking energy: -252.055
Base-Backbone interact. energy: 4.399
local terms energy: -540.550976
where:
bonds (distance) C4'-P energy: -148.122
bonds (distance) P-C4' energy: -164.507
flat angles C4'-P-C4' energy: -139.570
flat angles P-C4'-P energy: -80.556
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -720.106380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.106380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.106380 (E_RNA)
where:
Base-Base interactions energy: -259.353
where: short stacking energy: -238.389
Base-Backbone interact. energy: 2.901
local terms energy: -463.654876
where:
bonds (distance) C4'-P energy: -127.253
bonds (distance) P-C4' energy: -173.651
flat angles C4'-P-C4' energy: -110.771
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: 33.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -3096.429162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3096.429162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3096.429162 (E_RNA)
where:
Base-Base interactions energy: -2111.859
where: short stacking energy: -881.636
Base-Backbone interact. energy: -6.782
local terms energy: -977.788476
where:
bonds (distance) C4'-P energy: -179.640
bonds (distance) P-C4' energy: -189.968
flat angles C4'-P-C4' energy: -202.359
flat angles P-C4'-P energy: -144.365
tors. eta vs tors. theta energy: -261.455
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: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2924.999909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.999909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.999909 (E_RNA)
where:
Base-Base interactions energy: -1980.737
where: short stacking energy: -871.185
Base-Backbone interact. energy: -5.253
local terms energy: -939.010135
where:
bonds (distance) C4'-P energy: -162.531
bonds (distance) P-C4' energy: -171.044
flat angles C4'-P-C4' energy: -209.179
flat angles P-C4'-P energy: -141.176
tors. eta vs tors. theta energy: -255.081
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: 189
Temperature: 1.000000
Total energy: -2735.325233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.325233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.325233 (E_RNA)
where:
Base-Base interactions energy: -1823.638
where: short stacking energy: -797.055
Base-Backbone interact. energy: -2.613
local terms energy: -909.073682
where:
bonds (distance) C4'-P energy: -189.715
bonds (distance) P-C4' energy: -188.499
flat angles C4'-P-C4' energy: -177.006
flat angles P-C4'-P energy: -120.986
tors. eta vs tors. theta energy: -232.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2604.113011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.113011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.113011 (E_RNA)
where:
Base-Base interactions energy: -1761.293
where: short stacking energy: -769.718
Base-Backbone interact. energy: -1.441
local terms energy: -841.379110
where:
bonds (distance) C4'-P energy: -161.528
bonds (distance) P-C4' energy: -158.113
flat angles C4'-P-C4' energy: -183.222
flat angles P-C4'-P energy: -121.485
tors. eta vs tors. theta energy: -217.033
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: 189
Temperature: 1.100000
Total energy: -2421.522515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.522515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.522515 (E_RNA)
where:
Base-Base interactions energy: -1628.432
where: short stacking energy: -703.104
Base-Backbone interact. energy: 0.123
local terms energy: -793.213589
where:
bonds (distance) C4'-P energy: -150.103
bonds (distance) P-C4' energy: -161.921
flat angles C4'-P-C4' energy: -180.554
flat angles P-C4'-P energy: -117.025
tors. eta vs tors. theta energy: -183.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2231.946434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.946434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.946434 (E_RNA)
where:
Base-Base interactions energy: -1534.194
where: short stacking energy: -646.997
Base-Backbone interact. energy: -6.173
local terms energy: -691.580154
where:
bonds (distance) C4'-P energy: -134.495
bonds (distance) P-C4' energy: -152.834
flat angles C4'-P-C4' energy: -169.196
flat angles P-C4'-P energy: -79.394
tors. eta vs tors. theta energy: -155.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1958.068487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.068487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.068487 (E_RNA)
where:
Base-Base interactions energy: -1272.914
where: short stacking energy: -547.950
Base-Backbone interact. energy: -5.010
local terms energy: -680.144800
where:
bonds (distance) C4'-P energy: -125.629
bonds (distance) P-C4' energy: -166.218
flat angles C4'-P-C4' energy: -150.525
flat angles P-C4'-P energy: -101.509
tors. eta vs tors. theta energy: -136.264
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: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1428.548429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.548429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.548429 (E_RNA)
where:
Base-Base interactions energy: -857.608
where: short stacking energy: -394.947
Base-Backbone interact. energy: -2.601
local terms energy: -568.339584
where:
bonds (distance) C4'-P energy: -158.007
bonds (distance) P-C4' energy: -147.998
flat angles C4'-P-C4' energy: -135.028
flat angles P-C4'-P energy: -72.663
tors. eta vs tors. theta energy: -54.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1105.205641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.205641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.205641 (E_RNA)
where:
Base-Base interactions energy: -595.148
where: short stacking energy: -338.157
Base-Backbone interact. energy: -4.246
local terms energy: -505.812290
where:
bonds (distance) C4'-P energy: -136.071
bonds (distance) P-C4' energy: -136.662
flat angles C4'-P-C4' energy: -143.724
flat angles P-C4'-P energy: -75.908
tors. eta vs tors. theta energy: -13.448
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: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -700.013583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.013583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.013583 (E_RNA)
where:
Base-Base interactions energy: -245.730
where: short stacking energy: -167.124
Base-Backbone interact. energy: 0.497
local terms energy: -454.780830
where:
bonds (distance) C4'-P energy: -135.261
bonds (distance) P-C4' energy: -150.179
flat angles C4'-P-C4' energy: -125.159
flat angles P-C4'-P energy: -60.355
tors. eta vs tors. theta energy: 16.172
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: 190
Temperature: 0.900000
Total energy: -3067.488742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3067.488742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3067.488742 (E_RNA)
where:
Base-Base interactions energy: -2091.732
where: short stacking energy: -896.671
Base-Backbone interact. energy: -1.313
local terms energy: -974.443291
where:
bonds (distance) C4'-P energy: -182.809
bonds (distance) P-C4' energy: -172.980
flat angles C4'-P-C4' energy: -210.979
flat angles P-C4'-P energy: -138.628
tors. eta vs tors. theta energy: -269.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2918.922054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.922054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.922054 (E_RNA)
where:
Base-Base interactions energy: -1976.771
where: short stacking energy: -846.287
Base-Backbone interact. energy: -5.322
local terms energy: -936.828228
where:
bonds (distance) C4'-P energy: -161.973
bonds (distance) P-C4' energy: -202.081
flat angles C4'-P-C4' energy: -188.365
flat angles P-C4'-P energy: -140.358
tors. eta vs tors. theta energy: -244.052
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: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2768.879803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.879803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.879803 (E_RNA)
where:
Base-Base interactions energy: -1835.553
where: short stacking energy: -798.772
Base-Backbone interact. energy: -5.427
local terms energy: -927.900269
where:
bonds (distance) C4'-P energy: -181.130
bonds (distance) P-C4' energy: -181.154
flat angles C4'-P-C4' energy: -207.929
flat angles P-C4'-P energy: -113.752
tors. eta vs tors. theta energy: -243.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2576.798516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.798516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.798516 (E_RNA)
where:
Base-Base interactions energy: -1732.985
where: short stacking energy: -727.882
Base-Backbone interact. energy: -5.119
local terms energy: -838.694853
where:
bonds (distance) C4'-P energy: -167.260
bonds (distance) P-C4' energy: -137.140
flat angles C4'-P-C4' energy: -198.136
flat angles P-C4'-P energy: -110.885
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: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2426.750909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.750909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.750909 (E_RNA)
where:
Base-Base interactions energy: -1657.927
where: short stacking energy: -686.197
Base-Backbone interact. energy: 0.226
local terms energy: -769.049699
where:
bonds (distance) C4'-P energy: -145.042
bonds (distance) P-C4' energy: -167.801
flat angles C4'-P-C4' energy: -156.984
flat angles P-C4'-P energy: -104.853
tors. eta vs tors. theta energy: -194.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2225.917251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.917251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.917251 (E_RNA)
where:
Base-Base interactions energy: -1485.286
where: short stacking energy: -626.729
Base-Backbone interact. energy: 2.198
local terms energy: -742.829382
where:
bonds (distance) C4'-P energy: -152.138
bonds (distance) P-C4' energy: -165.787
flat angles C4'-P-C4' energy: -173.707
flat angles P-C4'-P energy: -83.324
tors. eta vs tors. theta energy: -167.874
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: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2048.263798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.263798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.263798 (E_RNA)
where:
Base-Base interactions energy: -1327.652
where: short stacking energy: -595.161
Base-Backbone interact. energy: -0.447
local terms energy: -720.164362
where:
bonds (distance) C4'-P energy: -141.304
bonds (distance) P-C4' energy: -165.403
flat angles C4'-P-C4' energy: -172.266
flat angles P-C4'-P energy: -104.723
tors. eta vs tors. theta energy: -136.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1433.105103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.105103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.105103 (E_RNA)
where:
Base-Base interactions energy: -861.306
where: short stacking energy: -415.776
Base-Backbone interact. energy: 3.355
local terms energy: -575.153669
where:
bonds (distance) C4'-P energy: -139.988
bonds (distance) P-C4' energy: -170.376
flat angles C4'-P-C4' energy: -132.192
flat angles P-C4'-P energy: -78.482
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1052.016781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.016781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.016781 (E_RNA)
where:
Base-Base interactions energy: -570.662
where: short stacking energy: -299.974
Base-Backbone interact. energy: -0.173
local terms energy: -481.181736
where:
bonds (distance) C4'-P energy: -145.097
bonds (distance) P-C4' energy: -138.702
flat angles C4'-P-C4' energy: -116.593
flat angles P-C4'-P energy: -83.797
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -691.026479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.026479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.026479 (E_RNA)
where:
Base-Base interactions energy: -228.020
where: short stacking energy: -182.547
Base-Backbone interact. energy: -0.757
local terms energy: -462.249001
where:
bonds (distance) C4'-P energy: -131.440
bonds (distance) P-C4' energy: -155.066
flat angles C4'-P-C4' energy: -128.868
flat angles P-C4'-P energy: -90.368
tors. eta vs tors. theta energy: 43.493
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: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -3072.133987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3072.133987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3072.133987 (E_RNA)
where:
Base-Base interactions energy: -2088.437
where: short stacking energy: -891.313
Base-Backbone interact. energy: -4.592
local terms energy: -979.105529
where:
bonds (distance) C4'-P energy: -178.242
bonds (distance) P-C4' energy: -178.792
flat angles C4'-P-C4' energy: -208.429
flat angles P-C4'-P energy: -146.481
tors. eta vs tors. theta energy: -267.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2892.476344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.476344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.476344 (E_RNA)
where:
Base-Base interactions energy: -1958.593
where: short stacking energy: -830.263
Base-Backbone interact. energy: -0.266
local terms energy: -933.617580
where:
bonds (distance) C4'-P energy: -158.175
bonds (distance) P-C4' energy: -171.855
flat angles C4'-P-C4' energy: -207.383
flat angles P-C4'-P energy: -142.397
tors. eta vs tors. theta energy: -253.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2796.637869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.637869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.637869 (E_RNA)
where:
Base-Base interactions energy: -1893.279
where: short stacking energy: -813.999
Base-Backbone interact. energy: 1.175
local terms energy: -904.533810
where:
bonds (distance) C4'-P energy: -169.803
bonds (distance) P-C4' energy: -169.441
flat angles C4'-P-C4' energy: -190.411
flat angles P-C4'-P energy: -123.416
tors. eta vs tors. theta energy: -251.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2644.175765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.175765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.175765 (E_RNA)
where:
Base-Base interactions energy: -1819.526
where: short stacking energy: -746.614
Base-Backbone interact. energy: 0.782
local terms energy: -825.431596
where:
bonds (distance) C4'-P energy: -134.439
bonds (distance) P-C4' energy: -171.341
flat angles C4'-P-C4' energy: -187.716
flat angles P-C4'-P energy: -112.237
tors. eta vs tors. theta energy: -219.698
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2373.676948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.676948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.676948 (E_RNA)
where:
Base-Base interactions energy: -1568.247
where: short stacking energy: -701.975
Base-Backbone interact. energy: 2.209
local terms energy: -807.639002
where:
bonds (distance) C4'-P energy: -175.246
bonds (distance) P-C4' energy: -144.166
flat angles C4'-P-C4' energy: -187.571
flat angles P-C4'-P energy: -105.342
tors. eta vs tors. theta energy: -195.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2253.379705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.379705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.379705 (E_RNA)
where:
Base-Base interactions energy: -1513.057
where: short stacking energy: -626.551
Base-Backbone interact. energy: -2.932
local terms energy: -737.391358
where:
bonds (distance) C4'-P energy: -146.460
bonds (distance) P-C4' energy: -154.918
flat angles C4'-P-C4' energy: -161.152
flat angles P-C4'-P energy: -103.351
tors. eta vs tors. theta energy: -171.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1954.386678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.386678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.386678 (E_RNA)
where:
Base-Base interactions energy: -1279.582
where: short stacking energy: -559.788
Base-Backbone interact. energy: -3.604
local terms energy: -671.201465
where:
bonds (distance) C4'-P energy: -123.502
bonds (distance) P-C4' energy: -162.227
flat angles C4'-P-C4' energy: -157.557
flat angles P-C4'-P energy: -115.671
tors. eta vs tors. theta energy: -112.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1436.211313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.211313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.211313 (E_RNA)
where:
Base-Base interactions energy: -830.193
where: short stacking energy: -406.609
Base-Backbone interact. energy: -4.380
local terms energy: -601.638180
where:
bonds (distance) C4'-P energy: -156.118
bonds (distance) P-C4' energy: -149.450
flat angles C4'-P-C4' energy: -146.656
flat angles P-C4'-P energy: -93.647
tors. eta vs tors. theta energy: -55.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1164.872132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.872132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.872132 (E_RNA)
where:
Base-Base interactions energy: -643.619
where: short stacking energy: -325.640
Base-Backbone interact. energy: 8.229
local terms energy: -529.481685
where:
bonds (distance) C4'-P energy: -137.027
bonds (distance) P-C4' energy: -161.648
flat angles C4'-P-C4' energy: -141.236
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -672.723831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.723831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.723831 (E_RNA)
where:
Base-Base interactions energy: -284.273
where: short stacking energy: -208.105
Base-Backbone interact. energy: -2.979
local terms energy: -385.471957
where:
bonds (distance) C4'-P energy: -116.295
bonds (distance) P-C4' energy: -146.703
flat angles C4'-P-C4' energy: -90.746
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: 35.777
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: 192
Temperature: 0.900000
Total energy: -3064.643372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3064.643372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3064.643372 (E_RNA)
where:
Base-Base interactions energy: -2112.738
where: short stacking energy: -886.643
Base-Backbone interact. energy: -6.060
local terms energy: -945.845269
where:
bonds (distance) C4'-P energy: -171.207
bonds (distance) P-C4' energy: -171.019
flat angles C4'-P-C4' energy: -203.017
flat angles P-C4'-P energy: -143.176
tors. eta vs tors. theta energy: -257.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2902.309236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.309236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.309236 (E_RNA)
where:
Base-Base interactions energy: -1932.263
where: short stacking energy: -862.202
Base-Backbone interact. energy: -8.415
local terms energy: -961.631882
where:
bonds (distance) C4'-P energy: -178.051
bonds (distance) P-C4' energy: -177.083
flat angles C4'-P-C4' energy: -218.283
flat angles P-C4'-P energy: -132.439
tors. eta vs tors. theta energy: -255.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2826.322954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.322954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.322954 (E_RNA)
where:
Base-Base interactions energy: -1930.289
where: short stacking energy: -829.851
Base-Backbone interact. energy: -2.795
local terms energy: -893.239413
where:
bonds (distance) C4'-P energy: -161.103
bonds (distance) P-C4' energy: -165.915
flat angles C4'-P-C4' energy: -193.796
flat angles P-C4'-P energy: -139.627
tors. eta vs tors. theta energy: -232.798
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: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2666.107304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.107304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.107304 (E_RNA)
where:
Base-Base interactions energy: -1809.383
where: short stacking energy: -761.090
Base-Backbone interact. energy: -0.476
local terms energy: -856.248706
where:
bonds (distance) C4'-P energy: -157.984
bonds (distance) P-C4' energy: -170.783
flat angles C4'-P-C4' energy: -183.031
flat angles P-C4'-P energy: -129.316
tors. eta vs tors. theta energy: -215.134
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2378.974340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.974340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.974340 (E_RNA)
where:
Base-Base interactions energy: -1548.138
where: short stacking energy: -689.398
Base-Backbone interact. energy: -2.155
local terms energy: -828.681000
where:
bonds (distance) C4'-P energy: -167.432
bonds (distance) P-C4' energy: -165.185
flat angles C4'-P-C4' energy: -179.920
flat angles P-C4'-P energy: -107.509
tors. eta vs tors. theta energy: -208.634
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: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2189.588818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.588818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.588818 (E_RNA)
where:
Base-Base interactions energy: -1444.464
where: short stacking energy: -620.423
Base-Backbone interact. energy: -2.929
local terms energy: -742.196321
where:
bonds (distance) C4'-P energy: -148.365
bonds (distance) P-C4' energy: -150.697
flat angles C4'-P-C4' energy: -184.874
flat angles P-C4'-P energy: -98.501
tors. eta vs tors. theta energy: -159.760
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: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1892.776940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.776940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.776940 (E_RNA)
where:
Base-Base interactions energy: -1215.520
where: short stacking energy: -511.121
Base-Backbone interact. energy: 1.471
local terms energy: -678.727092
where:
bonds (distance) C4'-P energy: -142.898
bonds (distance) P-C4' energy: -161.452
flat angles C4'-P-C4' energy: -155.260
flat angles P-C4'-P energy: -95.403
tors. eta vs tors. theta energy: -123.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1460.722507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.722507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.722507 (E_RNA)
where:
Base-Base interactions energy: -895.119
where: short stacking energy: -423.722
Base-Backbone interact. energy: -0.222
local terms energy: -565.381507
where:
bonds (distance) C4'-P energy: -135.048
bonds (distance) P-C4' energy: -161.503
flat angles C4'-P-C4' energy: -147.074
flat angles P-C4'-P energy: -80.728
tors. eta vs tors. theta energy: -41.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1158.835359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.835359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.835359 (E_RNA)
where:
Base-Base interactions energy: -626.758
where: short stacking energy: -320.452
Base-Backbone interact. energy: -0.545
local terms energy: -531.532431
where:
bonds (distance) C4'-P energy: -121.577
bonds (distance) P-C4' energy: -152.022
flat angles C4'-P-C4' energy: -149.651
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -732.033532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.033532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.033532 (E_RNA)
where:
Base-Base interactions energy: -264.481
where: short stacking energy: -194.630
Base-Backbone interact. energy: -0.638
local terms energy: -466.914133
where:
bonds (distance) C4'-P energy: -138.484
bonds (distance) P-C4' energy: -146.667
flat angles C4'-P-C4' energy: -127.376
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: 26.158
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: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -3061.485737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.485737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.485737 (E_RNA)
where:
Base-Base interactions energy: -2075.103
where: short stacking energy: -877.610
Base-Backbone interact. energy: -2.214
local terms energy: -984.169566
where:
bonds (distance) C4'-P energy: -171.253
bonds (distance) P-C4' energy: -179.089
flat angles C4'-P-C4' energy: -215.018
flat angles P-C4'-P energy: -138.899
tors. eta vs tors. theta energy: -279.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2885.151679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.151679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.151679 (E_RNA)
where:
Base-Base interactions energy: -1941.725
where: short stacking energy: -806.873
Base-Backbone interact. energy: -2.443
local terms energy: -940.982966
where:
bonds (distance) C4'-P energy: -180.140
bonds (distance) P-C4' energy: -176.854
flat angles C4'-P-C4' energy: -193.018
flat angles P-C4'-P energy: -142.482
tors. eta vs tors. theta energy: -248.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2740.748106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.748106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.748106 (E_RNA)
where:
Base-Base interactions energy: -1930.745
where: short stacking energy: -832.629
Base-Backbone interact. energy: 0.275
local terms energy: -810.278028
where:
bonds (distance) C4'-P energy: -140.560
bonds (distance) P-C4' energy: -162.300
flat angles C4'-P-C4' energy: -180.676
flat angles P-C4'-P energy: -115.565
tors. eta vs tors. theta energy: -211.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2599.863223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.863223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.863223 (E_RNA)
where:
Base-Base interactions energy: -1756.550
where: short stacking energy: -727.024
Base-Backbone interact. energy: -2.499
local terms energy: -840.814293
where:
bonds (distance) C4'-P energy: -148.480
bonds (distance) P-C4' energy: -160.048
flat angles C4'-P-C4' energy: -192.847
flat angles P-C4'-P energy: -125.288
tors. eta vs tors. theta energy: -214.151
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: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2425.883288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.883288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.883288 (E_RNA)
where:
Base-Base interactions energy: -1588.475
where: short stacking energy: -737.771
Base-Backbone interact. energy: -4.469
local terms energy: -832.939054
where:
bonds (distance) C4'-P energy: -145.456
bonds (distance) P-C4' energy: -174.665
flat angles C4'-P-C4' energy: -180.951
flat angles P-C4'-P energy: -114.563
tors. eta vs tors. theta energy: -217.304
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: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2246.898868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.898868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.898868 (E_RNA)
where:
Base-Base interactions energy: -1479.239
where: short stacking energy: -624.008
Base-Backbone interact. energy: -1.651
local terms energy: -766.008925
where:
bonds (distance) C4'-P energy: -138.212
bonds (distance) P-C4' energy: -176.658
flat angles C4'-P-C4' energy: -167.747
flat angles P-C4'-P energy: -113.310
tors. eta vs tors. theta energy: -170.081
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: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1949.693597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.693597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.693597 (E_RNA)
where:
Base-Base interactions energy: -1298.409
where: short stacking energy: -562.373
Base-Backbone interact. energy: 3.581
local terms energy: -654.865477
where:
bonds (distance) C4'-P energy: -132.991
bonds (distance) P-C4' energy: -164.047
flat angles C4'-P-C4' energy: -154.204
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -125.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1459.562577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.562577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.562577 (E_RNA)
where:
Base-Base interactions energy: -850.409
where: short stacking energy: -431.758
Base-Backbone interact. energy: 2.933
local terms energy: -612.087305
where:
bonds (distance) C4'-P energy: -155.948
bonds (distance) P-C4' energy: -141.468
flat angles C4'-P-C4' energy: -129.680
flat angles P-C4'-P energy: -106.479
tors. eta vs tors. theta energy: -78.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1117.281070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.281070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.281070 (E_RNA)
where:
Base-Base interactions energy: -605.027
where: short stacking energy: -314.625
Base-Backbone interact. energy: -0.936
local terms energy: -511.318093
where:
bonds (distance) C4'-P energy: -133.150
bonds (distance) P-C4' energy: -154.754
flat angles C4'-P-C4' energy: -133.145
flat angles P-C4'-P energy: -74.840
tors. eta vs tors. theta energy: -15.430
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: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -718.490328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.490328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.490328 (E_RNA)
where:
Base-Base interactions energy: -268.559
where: short stacking energy: -200.149
Base-Backbone interact. energy: 0.892
local terms energy: -450.822724
where:
bonds (distance) C4'-P energy: -163.584
bonds (distance) P-C4' energy: -136.895
flat angles C4'-P-C4' energy: -125.942
flat angles P-C4'-P energy: -62.545
tors. eta vs tors. theta energy: 38.144
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: 194
Temperature: 0.900000
Total energy: -3052.415072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.415072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.415072 (E_RNA)
where:
Base-Base interactions energy: -2066.676
where: short stacking energy: -870.187
Base-Backbone interact. energy: -4.605
local terms energy: -981.134451
where:
bonds (distance) C4'-P energy: -177.176
bonds (distance) P-C4' energy: -183.278
flat angles C4'-P-C4' energy: -210.881
flat angles P-C4'-P energy: -140.297
tors. eta vs tors. theta energy: -269.502
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2892.962728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.962728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.962728 (E_RNA)
where:
Base-Base interactions energy: -1963.263
where: short stacking energy: -814.480
Base-Backbone interact. energy: -2.778
local terms energy: -926.922379
where:
bonds (distance) C4'-P energy: -178.214
bonds (distance) P-C4' energy: -175.775
flat angles C4'-P-C4' energy: -198.998
flat angles P-C4'-P energy: -130.685
tors. eta vs tors. theta energy: -243.250
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: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2784.226201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.226201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.226201 (E_RNA)
where:
Base-Base interactions energy: -1921.038
where: short stacking energy: -815.644
Base-Backbone interact. energy: -3.728
local terms energy: -859.460139
where:
bonds (distance) C4'-P energy: -152.346
bonds (distance) P-C4' energy: -166.355
flat angles C4'-P-C4' energy: -190.862
flat angles P-C4'-P energy: -110.445
tors. eta vs tors. theta energy: -239.453
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: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2638.234657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.234657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.234657 (E_RNA)
where:
Base-Base interactions energy: -1777.614
where: short stacking energy: -754.926
Base-Backbone interact. energy: -1.564
local terms energy: -859.055713
where:
bonds (distance) C4'-P energy: -155.511
bonds (distance) P-C4' energy: -164.893
flat angles C4'-P-C4' energy: -194.092
flat angles P-C4'-P energy: -122.221
tors. eta vs tors. theta energy: -222.338
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: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2376.550450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.550450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.550450 (E_RNA)
where:
Base-Base interactions energy: -1602.249
where: short stacking energy: -702.309
Base-Backbone interact. energy: -0.960
local terms energy: -773.342164
where:
bonds (distance) C4'-P energy: -141.624
bonds (distance) P-C4' energy: -168.633
flat angles C4'-P-C4' energy: -172.737
flat angles P-C4'-P energy: -97.144
tors. eta vs tors. theta energy: -193.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2252.183680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.183680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.183680 (E_RNA)
where:
Base-Base interactions energy: -1507.298
where: short stacking energy: -632.955
Base-Backbone interact. energy: 5.587
local terms energy: -750.472864
where:
bonds (distance) C4'-P energy: -140.681
bonds (distance) P-C4' energy: -159.729
flat angles C4'-P-C4' energy: -192.555
flat angles P-C4'-P energy: -91.639
tors. eta vs tors. theta energy: -165.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1999.055599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.055599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.055599 (E_RNA)
where:
Base-Base interactions energy: -1311.408
where: short stacking energy: -588.273
Base-Backbone interact. energy: 0.920
local terms energy: -688.567481
where:
bonds (distance) C4'-P energy: -151.103
bonds (distance) P-C4' energy: -160.855
flat angles C4'-P-C4' energy: -157.376
flat angles P-C4'-P energy: -106.043
tors. eta vs tors. theta energy: -113.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1402.017167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.017167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.017167 (E_RNA)
where:
Base-Base interactions energy: -812.034
where: short stacking energy: -399.071
Base-Backbone interact. energy: 3.528
local terms energy: -593.510395
where:
bonds (distance) C4'-P energy: -143.107
bonds (distance) P-C4' energy: -179.379
flat angles C4'-P-C4' energy: -140.990
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -54.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1116.972450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.972450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.972450 (E_RNA)
where:
Base-Base interactions energy: -615.122
where: short stacking energy: -303.385
Base-Backbone interact. energy: -1.141
local terms energy: -500.710059
where:
bonds (distance) C4'-P energy: -144.189
bonds (distance) P-C4' energy: -129.859
flat angles C4'-P-C4' energy: -135.209
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -697.865089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.865089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.865089 (E_RNA)
where:
Base-Base interactions energy: -270.570
where: short stacking energy: -190.091
Base-Backbone interact. energy: 1.843
local terms energy: -429.137507
where:
bonds (distance) C4'-P energy: -128.917
bonds (distance) P-C4' energy: -153.109
flat angles C4'-P-C4' energy: -114.396
flat angles P-C4'-P energy: -79.919
tors. eta vs tors. theta energy: 47.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -3018.668746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3018.668746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.668746 (E_RNA)
where:
Base-Base interactions energy: -2055.507
where: short stacking energy: -895.176
Base-Backbone interact. energy: -7.823
local terms energy: -955.339024
where:
bonds (distance) C4'-P energy: -171.804
bonds (distance) P-C4' energy: -174.623
flat angles C4'-P-C4' energy: -197.153
flat angles P-C4'-P energy: -147.784
tors. eta vs tors. theta energy: -263.975
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: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2888.691573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.691573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.691573 (E_RNA)
where:
Base-Base interactions energy: -1973.231
where: short stacking energy: -823.479
Base-Backbone interact. energy: -1.543
local terms energy: -913.917578
where:
bonds (distance) C4'-P energy: -185.486
bonds (distance) P-C4' energy: -181.841
flat angles C4'-P-C4' energy: -193.008
flat angles P-C4'-P energy: -128.983
tors. eta vs tors. theta energy: -224.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2793.178400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.178400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.178400 (E_RNA)
where:
Base-Base interactions energy: -1905.192
where: short stacking energy: -807.886
Base-Backbone interact. energy: -7.132
local terms energy: -880.855037
where:
bonds (distance) C4'-P energy: -161.310
bonds (distance) P-C4' energy: -185.282
flat angles C4'-P-C4' energy: -184.596
flat angles P-C4'-P energy: -127.603
tors. eta vs tors. theta energy: -222.065
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: 195
Temperature: 1.050000
Total energy: -2648.428428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.428428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.428428 (E_RNA)
where:
Base-Base interactions energy: -1798.277
where: short stacking energy: -760.101
Base-Backbone interact. energy: -4.370
local terms energy: -845.781577
where:
bonds (distance) C4'-P energy: -158.939
bonds (distance) P-C4' energy: -170.076
flat angles C4'-P-C4' energy: -186.113
flat angles P-C4'-P energy: -118.773
tors. eta vs tors. theta energy: -211.881
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: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2461.646653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.646653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.646653 (E_RNA)
where:
Base-Base interactions energy: -1642.731
where: short stacking energy: -727.180
Base-Backbone interact. energy: -5.066
local terms energy: -813.849630
where:
bonds (distance) C4'-P energy: -160.651
bonds (distance) P-C4' energy: -157.237
flat angles C4'-P-C4' energy: -178.569
flat angles P-C4'-P energy: -114.569
tors. eta vs tors. theta energy: -202.824
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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2261.503661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.503661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.503661 (E_RNA)
where:
Base-Base interactions energy: -1490.284
where: short stacking energy: -660.113
Base-Backbone interact. energy: -0.800
local terms energy: -770.419337
where:
bonds (distance) C4'-P energy: -137.412
bonds (distance) P-C4' energy: -161.709
flat angles C4'-P-C4' energy: -171.382
flat angles P-C4'-P energy: -119.847
tors. eta vs tors. theta energy: -180.069
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: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1924.716935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.716935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.716935 (E_RNA)
where:
Base-Base interactions energy: -1252.926
where: short stacking energy: -549.911
Base-Backbone interact. energy: -0.485
local terms energy: -671.306378
where:
bonds (distance) C4'-P energy: -163.082
bonds (distance) P-C4' energy: -144.159
flat angles C4'-P-C4' energy: -153.528
flat angles P-C4'-P energy: -93.541
tors. eta vs tors. theta energy: -116.996
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: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1431.173633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.173633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.173633 (E_RNA)
where:
Base-Base interactions energy: -811.237
where: short stacking energy: -400.275
Base-Backbone interact. energy: -2.045
local terms energy: -617.891550
where:
bonds (distance) C4'-P energy: -140.051
bonds (distance) P-C4' energy: -151.687
flat angles C4'-P-C4' energy: -151.464
flat angles P-C4'-P energy: -117.909
tors. eta vs tors. theta energy: -56.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1152.872881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.872881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.872881 (E_RNA)
where:
Base-Base interactions energy: -645.035
where: short stacking energy: -316.025
Base-Backbone interact. energy: 0.962
local terms energy: -508.799905
where:
bonds (distance) C4'-P energy: -139.547
bonds (distance) P-C4' energy: -169.589
flat angles C4'-P-C4' energy: -124.342
flat angles P-C4'-P energy: -70.890
tors. eta vs tors. theta energy: -4.432
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: 195
Temperature: 1.350000
Total energy: -728.610412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.610412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.610412 (E_RNA)
where:
Base-Base interactions energy: -293.830
where: short stacking energy: -228.575
Base-Backbone interact. energy: -1.008
local terms energy: -433.773213
where:
bonds (distance) C4'-P energy: -144.055
bonds (distance) P-C4' energy: -159.272
flat angles C4'-P-C4' energy: -88.785
flat angles P-C4'-P energy: -67.759
tors. eta vs tors. theta energy: 26.099
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: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -3075.763749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3075.763749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3075.763749 (E_RNA)
where:
Base-Base interactions energy: -2082.712
where: short stacking energy: -866.536
Base-Backbone interact. energy: -3.303
local terms energy: -989.749269
where:
bonds (distance) C4'-P energy: -188.068
bonds (distance) P-C4' energy: -178.716
flat angles C4'-P-C4' energy: -215.581
flat angles P-C4'-P energy: -137.150
tors. eta vs tors. theta energy: -270.235
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2927.973400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.973400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.973400 (E_RNA)
where:
Base-Base interactions energy: -2011.301
where: short stacking energy: -828.863
Base-Backbone interact. energy: -4.197
local terms energy: -912.475492
where:
bonds (distance) C4'-P energy: -168.159
bonds (distance) P-C4' energy: -173.530
flat angles C4'-P-C4' energy: -200.555
flat angles P-C4'-P energy: -134.933
tors. eta vs tors. theta energy: -235.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2802.303410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.303410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.303410 (E_RNA)
where:
Base-Base interactions energy: -1897.965
where: short stacking energy: -793.381
Base-Backbone interact. energy: -3.860
local terms energy: -900.478276
where:
bonds (distance) C4'-P energy: -169.644
bonds (distance) P-C4' energy: -163.845
flat angles C4'-P-C4' energy: -203.509
flat angles P-C4'-P energy: -131.254
tors. eta vs tors. theta energy: -232.226
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: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2667.016729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.016729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.016729 (E_RNA)
where:
Base-Base interactions energy: -1775.780
where: short stacking energy: -789.308
Base-Backbone interact. energy: -1.240
local terms energy: -889.997089
where:
bonds (distance) C4'-P energy: -177.647
bonds (distance) P-C4' energy: -173.265
flat angles C4'-P-C4' energy: -191.090
flat angles P-C4'-P energy: -116.811
tors. eta vs tors. theta energy: -231.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2471.315595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.315595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.315595 (E_RNA)
where:
Base-Base interactions energy: -1631.325
where: short stacking energy: -719.805
Base-Backbone interact. energy: 0.789
local terms energy: -840.779603
where:
bonds (distance) C4'-P energy: -164.324
bonds (distance) P-C4' energy: -175.156
flat angles C4'-P-C4' energy: -181.463
flat angles P-C4'-P energy: -106.281
tors. eta vs tors. theta energy: -213.555
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: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2218.595709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.595709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.595709 (E_RNA)
where:
Base-Base interactions energy: -1451.216
where: short stacking energy: -618.117
Base-Backbone interact. energy: -2.620
local terms energy: -764.759841
where:
bonds (distance) C4'-P energy: -164.171
bonds (distance) P-C4' energy: -179.471
flat angles C4'-P-C4' energy: -163.101
flat angles P-C4'-P energy: -93.934
tors. eta vs tors. theta energy: -164.083
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: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1930.978340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.978340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.978340 (E_RNA)
where:
Base-Base interactions energy: -1278.883
where: short stacking energy: -573.343
Base-Backbone interact. energy: -2.816
local terms energy: -649.279514
where:
bonds (distance) C4'-P energy: -128.870
bonds (distance) P-C4' energy: -136.808
flat angles C4'-P-C4' energy: -153.607
flat angles P-C4'-P energy: -114.061
tors. eta vs tors. theta energy: -115.933
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: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1357.767310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.767310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.767310 (E_RNA)
where:
Base-Base interactions energy: -807.870
where: short stacking energy: -393.768
Base-Backbone interact. energy: 2.607
local terms energy: -552.503847
where:
bonds (distance) C4'-P energy: -152.022
bonds (distance) P-C4' energy: -132.988
flat angles C4'-P-C4' energy: -141.082
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -47.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1167.107627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.107627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.107627 (E_RNA)
where:
Base-Base interactions energy: -639.016
where: short stacking energy: -319.203
Base-Backbone interact. energy: -0.631
local terms energy: -527.460509
where:
bonds (distance) C4'-P energy: -147.090
bonds (distance) P-C4' energy: -150.716
flat angles C4'-P-C4' energy: -116.737
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -30.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -674.905407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.905407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.905407 (E_RNA)
where:
Base-Base interactions energy: -222.539
where: short stacking energy: -179.524
Base-Backbone interact. energy: 2.742
local terms energy: -455.108519
where:
bonds (distance) C4'-P energy: -126.734
bonds (distance) P-C4' energy: -145.154
flat angles C4'-P-C4' energy: -131.578
flat angles P-C4'-P energy: -74.642
tors. eta vs tors. theta energy: 22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -3093.597381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3093.597381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3093.597381 (E_RNA)
where:
Base-Base interactions energy: -2141.295
where: short stacking energy: -892.519
Base-Backbone interact. energy: -2.545
local terms energy: -949.757017
where:
bonds (distance) C4'-P energy: -177.854
bonds (distance) P-C4' energy: -179.929
flat angles C4'-P-C4' energy: -195.963
flat angles P-C4'-P energy: -131.034
tors. eta vs tors. theta energy: -264.978
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2896.738524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.738524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.738524 (E_RNA)
where:
Base-Base interactions energy: -1982.558
where: short stacking energy: -859.978
Base-Backbone interact. energy: -0.899
local terms energy: -913.280886
where:
bonds (distance) C4'-P energy: -177.429
bonds (distance) P-C4' energy: -176.705
flat angles C4'-P-C4' energy: -203.948
flat angles P-C4'-P energy: -113.990
tors. eta vs tors. theta energy: -241.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2822.943158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.943158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.943158 (E_RNA)
where:
Base-Base interactions energy: -1932.570
where: short stacking energy: -783.996
Base-Backbone interact. energy: -2.793
local terms energy: -887.580111
where:
bonds (distance) C4'-P energy: -159.086
bonds (distance) P-C4' energy: -170.520
flat angles C4'-P-C4' energy: -195.329
flat angles P-C4'-P energy: -135.692
tors. eta vs tors. theta energy: -226.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2610.922080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.922080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.922080 (E_RNA)
where:
Base-Base interactions energy: -1784.028
where: short stacking energy: -777.266
Base-Backbone interact. energy: -2.321
local terms energy: -824.573100
where:
bonds (distance) C4'-P energy: -153.116
bonds (distance) P-C4' energy: -150.814
flat angles C4'-P-C4' energy: -192.229
flat angles P-C4'-P energy: -102.551
tors. eta vs tors. theta energy: -225.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2493.671334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.671334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.671334 (E_RNA)
where:
Base-Base interactions energy: -1646.809
where: short stacking energy: -744.964
Base-Backbone interact. energy: 0.539
local terms energy: -847.401302
where:
bonds (distance) C4'-P energy: -172.700
bonds (distance) P-C4' energy: -147.561
flat angles C4'-P-C4' energy: -179.559
flat angles P-C4'-P energy: -122.661
tors. eta vs tors. theta energy: -224.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2229.039125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.039125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.039125 (E_RNA)
where:
Base-Base interactions energy: -1500.321
where: short stacking energy: -627.606
Base-Backbone interact. energy: 0.420
local terms energy: -729.137983
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -157.170
flat angles C4'-P-C4' energy: -160.042
flat angles P-C4'-P energy: -110.471
tors. eta vs tors. theta energy: -176.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1937.986147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.986147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.986147 (E_RNA)
where:
Base-Base interactions energy: -1289.139
where: short stacking energy: -567.117
Base-Backbone interact. energy: -2.008
local terms energy: -646.839288
where:
bonds (distance) C4'-P energy: -130.956
bonds (distance) P-C4' energy: -140.104
flat angles C4'-P-C4' energy: -144.735
flat angles P-C4'-P energy: -103.785
tors. eta vs tors. theta energy: -127.259
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: 197
Temperature: 1.250000
Total energy: -1450.880060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.880060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.880060 (E_RNA)
where:
Base-Base interactions energy: -897.072
where: short stacking energy: -416.329
Base-Backbone interact. energy: -2.306
local terms energy: -551.502434
where:
bonds (distance) C4'-P energy: -127.244
bonds (distance) P-C4' energy: -141.338
flat angles C4'-P-C4' energy: -140.172
flat angles P-C4'-P energy: -90.671
tors. eta vs tors. theta energy: -52.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1131.142679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.142679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.142679 (E_RNA)
where:
Base-Base interactions energy: -645.318
where: short stacking energy: -329.574
Base-Backbone interact. energy: 2.883
local terms energy: -488.707688
where:
bonds (distance) C4'-P energy: -121.584
bonds (distance) P-C4' energy: -153.072
flat angles C4'-P-C4' energy: -126.471
flat angles P-C4'-P energy: -77.364
tors. eta vs tors. theta energy: -10.215
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: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -678.026301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.026301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.026301 (E_RNA)
where:
Base-Base interactions energy: -263.439
where: short stacking energy: -178.893
Base-Backbone interact. energy: 5.665
local terms energy: -420.252840
where:
bonds (distance) C4'-P energy: -139.531
bonds (distance) P-C4' energy: -136.623
flat angles C4'-P-C4' energy: -116.910
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: 60.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -3060.157407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3060.157407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3060.157407 (E_RNA)
where:
Base-Base interactions energy: -2089.862
where: short stacking energy: -881.109
Base-Backbone interact. energy: -5.072
local terms energy: -965.223820
where:
bonds (distance) C4'-P energy: -169.414
bonds (distance) P-C4' energy: -170.330
flat angles C4'-P-C4' energy: -219.219
flat angles P-C4'-P energy: -141.987
tors. eta vs tors. theta energy: -264.275
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: 198
Temperature: 0.950000
Total energy: -2890.452001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.452001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.452001 (E_RNA)
where:
Base-Base interactions energy: -1981.776
where: short stacking energy: -831.671
Base-Backbone interact. energy: -3.309
local terms energy: -905.367267
where:
bonds (distance) C4'-P energy: -163.196
bonds (distance) P-C4' energy: -169.587
flat angles C4'-P-C4' energy: -183.233
flat angles P-C4'-P energy: -149.138
tors. eta vs tors. theta energy: -240.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2803.172880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.172880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.172880 (E_RNA)
where:
Base-Base interactions energy: -1911.520
where: short stacking energy: -780.934
Base-Backbone interact. energy: -5.157
local terms energy: -886.496555
where:
bonds (distance) C4'-P energy: -163.145
bonds (distance) P-C4' energy: -190.813
flat angles C4'-P-C4' energy: -184.763
flat angles P-C4'-P energy: -122.490
tors. eta vs tors. theta energy: -225.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2643.946528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.946528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.946528 (E_RNA)
where:
Base-Base interactions energy: -1804.705
where: short stacking energy: -770.281
Base-Backbone interact. energy: -2.333
local terms energy: -836.908642
where:
bonds (distance) C4'-P energy: -147.711
bonds (distance) P-C4' energy: -160.735
flat angles C4'-P-C4' energy: -174.980
flat angles P-C4'-P energy: -128.620
tors. eta vs tors. theta energy: -224.861
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: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2451.955242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.955242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.955242 (E_RNA)
where:
Base-Base interactions energy: -1634.623
where: short stacking energy: -747.704
Base-Backbone interact. energy: 1.491
local terms energy: -818.823598
where:
bonds (distance) C4'-P energy: -167.706
bonds (distance) P-C4' energy: -158.676
flat angles C4'-P-C4' energy: -179.836
flat angles P-C4'-P energy: -109.209
tors. eta vs tors. theta energy: -203.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2261.433381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.433381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.433381 (E_RNA)
where:
Base-Base interactions energy: -1520.417
where: short stacking energy: -627.424
Base-Backbone interact. energy: 1.371
local terms energy: -742.386894
where:
bonds (distance) C4'-P energy: -147.844
bonds (distance) P-C4' energy: -158.492
flat angles C4'-P-C4' energy: -171.937
flat angles P-C4'-P energy: -100.688
tors. eta vs tors. theta energy: -163.426
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: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1972.806721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.806721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.806721 (E_RNA)
where:
Base-Base interactions energy: -1310.042
where: short stacking energy: -564.414
Base-Backbone interact. energy: -3.329
local terms energy: -659.435155
where:
bonds (distance) C4'-P energy: -126.151
bonds (distance) P-C4' energy: -165.813
flat angles C4'-P-C4' energy: -161.574
flat angles P-C4'-P energy: -95.425
tors. eta vs tors. theta energy: -110.472
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: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1419.275709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.275709 (E_RNA)
where:
Base-Base interactions energy: -780.507
where: short stacking energy: -392.567
Base-Backbone interact. energy: 1.130
local terms energy: -639.899332
where:
bonds (distance) C4'-P energy: -145.556
bonds (distance) P-C4' energy: -169.097
flat angles C4'-P-C4' energy: -149.389
flat angles P-C4'-P energy: -106.343
tors. eta vs tors. theta energy: -69.514
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: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1116.410601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.410601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.410601 (E_RNA)
where:
Base-Base interactions energy: -594.185
where: short stacking energy: -315.097
Base-Backbone interact. energy: -0.746
local terms energy: -521.478993
where:
bonds (distance) C4'-P energy: -139.773
bonds (distance) P-C4' energy: -151.460
flat angles C4'-P-C4' energy: -131.431
flat angles P-C4'-P energy: -83.563
tors. eta vs tors. theta energy: -15.253
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: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -663.498790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.498790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.498790 (E_RNA)
where:
Base-Base interactions energy: -249.295
where: short stacking energy: -192.307
Base-Backbone interact. energy: 5.962
local terms energy: -420.166009
where:
bonds (distance) C4'-P energy: -149.292
bonds (distance) P-C4' energy: -126.725
flat angles C4'-P-C4' energy: -117.945
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: 27.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -3053.390688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.390688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.390688 (E_RNA)
where:
Base-Base interactions energy: -2092.417
where: short stacking energy: -889.623
Base-Backbone interact. energy: -3.196
local terms energy: -957.777802
where:
bonds (distance) C4'-P energy: -177.550
bonds (distance) P-C4' energy: -176.902
flat angles C4'-P-C4' energy: -205.188
flat angles P-C4'-P energy: -140.768
tors. eta vs tors. theta energy: -257.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2905.175343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.175343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.175343 (E_RNA)
where:
Base-Base interactions energy: -1994.631
where: short stacking energy: -858.472
Base-Backbone interact. energy: -1.080
local terms energy: -909.463562
where:
bonds (distance) C4'-P energy: -161.562
bonds (distance) P-C4' energy: -157.098
flat angles C4'-P-C4' energy: -206.170
flat angles P-C4'-P energy: -118.818
tors. eta vs tors. theta energy: -265.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2808.450463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.450463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.450463 (E_RNA)
where:
Base-Base interactions energy: -1914.449
where: short stacking energy: -805.091
Base-Backbone interact. energy: -5.874
local terms energy: -888.127520
where:
bonds (distance) C4'-P energy: -165.918
bonds (distance) P-C4' energy: -176.136
flat angles C4'-P-C4' energy: -185.173
flat angles P-C4'-P energy: -130.118
tors. eta vs tors. theta energy: -230.783
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: 199
Temperature: 1.050000
Total energy: -2640.970779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.970779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.970779 (E_RNA)
where:
Base-Base interactions energy: -1815.682
where: short stacking energy: -749.187
Base-Backbone interact. energy: -0.388
local terms energy: -824.900995
where:
bonds (distance) C4'-P energy: -152.827
bonds (distance) P-C4' energy: -174.008
flat angles C4'-P-C4' energy: -189.305
flat angles P-C4'-P energy: -91.838
tors. eta vs tors. theta energy: -216.923
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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2434.788991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.788991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.788991 (E_RNA)
where:
Base-Base interactions energy: -1628.784
where: short stacking energy: -695.382
Base-Backbone interact. energy: 1.737
local terms energy: -807.742305
where:
bonds (distance) C4'-P energy: -146.378
bonds (distance) P-C4' energy: -182.108
flat angles C4'-P-C4' energy: -170.364
flat angles P-C4'-P energy: -111.522
tors. eta vs tors. theta energy: -197.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2289.738961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.738961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.738961 (E_RNA)
where:
Base-Base interactions energy: -1531.477
where: short stacking energy: -655.576
Base-Backbone interact. energy: -2.622
local terms energy: -755.640201
where:
bonds (distance) C4'-P energy: -151.636
bonds (distance) P-C4' energy: -157.599
flat angles C4'-P-C4' energy: -172.180
flat angles P-C4'-P energy: -99.997
tors. eta vs tors. theta energy: -174.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1987.616149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.616149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.616149 (E_RNA)
where:
Base-Base interactions energy: -1288.341
where: short stacking energy: -569.163
Base-Backbone interact. energy: 2.180
local terms energy: -701.455368
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -150.565
flat angles C4'-P-C4' energy: -179.752
flat angles P-C4'-P energy: -98.949
tors. eta vs tors. theta energy: -131.133
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1395.513938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.513938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.513938 (E_RNA)
where:
Base-Base interactions energy: -813.198
where: short stacking energy: -402.005
Base-Backbone interact. energy: 6.769
local terms energy: -589.085238
where:
bonds (distance) C4'-P energy: -141.656
bonds (distance) P-C4' energy: -142.000
flat angles C4'-P-C4' energy: -137.971
flat angles P-C4'-P energy: -98.452
tors. eta vs tors. theta energy: -69.007
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: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1102.156870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.156870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.156870 (E_RNA)
where:
Base-Base interactions energy: -575.191
where: short stacking energy: -279.663
Base-Backbone interact. energy: 2.941
local terms energy: -529.907123
where:
bonds (distance) C4'-P energy: -145.528
bonds (distance) P-C4' energy: -156.173
flat angles C4'-P-C4' energy: -150.419
flat angles P-C4'-P energy: -84.798
tors. eta vs tors. theta energy: 7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -651.535862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.535862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.535862 (E_RNA)
where:
Base-Base interactions energy: -250.722
where: short stacking energy: -196.640
Base-Backbone interact. energy: 7.033
local terms energy: -407.846807
where:
bonds (distance) C4'-P energy: -131.892
bonds (distance) P-C4' energy: -144.388
flat angles C4'-P-C4' energy: -120.301
flat angles P-C4'-P energy: -63.170
tors. eta vs tors. theta energy: 51.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -3031.556930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3031.556930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3031.556930 (E_RNA)
where:
Base-Base interactions energy: -2081.741
where: short stacking energy: -869.672
Base-Backbone interact. energy: -5.096
local terms energy: -944.719954
where:
bonds (distance) C4'-P energy: -175.824
bonds (distance) P-C4' energy: -157.376
flat angles C4'-P-C4' energy: -202.577
flat angles P-C4'-P energy: -140.022
tors. eta vs tors. theta energy: -268.921
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2963.745976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.745976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.745976 (E_RNA)
where:
Base-Base interactions energy: -2005.782
where: short stacking energy: -875.602
Base-Backbone interact. energy: -6.688
local terms energy: -951.275688
where:
bonds (distance) C4'-P energy: -176.055
bonds (distance) P-C4' energy: -181.920
flat angles C4'-P-C4' energy: -205.873
flat angles P-C4'-P energy: -121.115
tors. eta vs tors. theta energy: -266.313
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2813.384930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.384930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.384930 (E_RNA)
where:
Base-Base interactions energy: -1937.836
where: short stacking energy: -812.645
Base-Backbone interact. energy: -5.242
local terms energy: -870.306581
where:
bonds (distance) C4'-P energy: -153.505
bonds (distance) P-C4' energy: -169.802
flat angles C4'-P-C4' energy: -192.890
flat angles P-C4'-P energy: -122.549
tors. eta vs tors. theta energy: -231.562
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2642.208587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.208587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.208587 (E_RNA)
where:
Base-Base interactions energy: -1763.676
where: short stacking energy: -762.017
Base-Backbone interact. energy: -3.438
local terms energy: -875.094302
where:
bonds (distance) C4'-P energy: -164.606
bonds (distance) P-C4' energy: -168.897
flat angles C4'-P-C4' energy: -212.151
flat angles P-C4'-P energy: -103.523
tors. eta vs tors. theta energy: -225.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2444.285006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.285006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.285006 (E_RNA)
where:
Base-Base interactions energy: -1621.637
where: short stacking energy: -704.117
Base-Backbone interact. energy: 10.171
local terms energy: -832.819204
where:
bonds (distance) C4'-P energy: -153.135
bonds (distance) P-C4' energy: -155.022
flat angles C4'-P-C4' energy: -178.571
flat angles P-C4'-P energy: -133.859
tors. eta vs tors. theta energy: -212.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2315.544758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.544758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.544758 (E_RNA)
where:
Base-Base interactions energy: -1525.310
where: short stacking energy: -659.152
Base-Backbone interact. energy: -2.457
local terms energy: -787.777803
where:
bonds (distance) C4'-P energy: -158.336
bonds (distance) P-C4' energy: -153.864
flat angles C4'-P-C4' energy: -173.964
flat angles P-C4'-P energy: -115.359
tors. eta vs tors. theta energy: -186.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1909.298108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.298108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.298108 (E_RNA)
where:
Base-Base interactions energy: -1228.471
where: short stacking energy: -517.151
Base-Backbone interact. energy: 1.259
local terms energy: -682.086418
where:
bonds (distance) C4'-P energy: -141.577
bonds (distance) P-C4' energy: -158.782
flat angles C4'-P-C4' energy: -174.266
flat angles P-C4'-P energy: -105.200
tors. eta vs tors. theta energy: -102.261
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: 200
Temperature: 1.250000
Total energy: -1406.700670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.700670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.700670 (E_RNA)
where:
Base-Base interactions energy: -818.246
where: short stacking energy: -392.983
Base-Backbone interact. energy: -4.014
local terms energy: -584.440637
where:
bonds (distance) C4'-P energy: -163.171
bonds (distance) P-C4' energy: -134.600
flat angles C4'-P-C4' energy: -133.944
flat angles P-C4'-P energy: -107.754
tors. eta vs tors. theta energy: -44.972
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: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1082.393409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.393409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.393409 (E_RNA)
where:
Base-Base interactions energy: -568.367
where: short stacking energy: -302.004
Base-Backbone interact. energy: 1.595
local terms energy: -515.621407
where:
bonds (distance) C4'-P energy: -163.279
bonds (distance) P-C4' energy: -129.639
flat angles C4'-P-C4' energy: -123.852
flat angles P-C4'-P energy: -96.669
tors. eta vs tors. theta energy: -2.182
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: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -701.409904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.409904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.409904 (E_RNA)
where:
Base-Base interactions energy: -280.955
where: short stacking energy: -226.342
Base-Backbone interact. energy: 1.255
local terms energy: -421.709890
where:
bonds (distance) C4'-P energy: -131.940
bonds (distance) P-C4' energy: -161.157
flat angles C4'-P-C4' energy: -107.898
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: 29.500
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: 201
Temperature: 0.900000
Total energy: -3062.138182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.138182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.138182 (E_RNA)
where:
Base-Base interactions energy: -2057.993
where: short stacking energy: -899.669
Base-Backbone interact. energy: -2.259
local terms energy: -1001.886238
where:
bonds (distance) C4'-P energy: -176.907
bonds (distance) P-C4' energy: -184.998
flat angles C4'-P-C4' energy: -211.127
flat angles P-C4'-P energy: -150.014
tors. eta vs tors. theta energy: -278.840
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: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2899.927088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.927088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.927088 (E_RNA)
where:
Base-Base interactions energy: -2006.666
where: short stacking energy: -851.482
Base-Backbone interact. energy: -3.813
local terms energy: -889.448097
where:
bonds (distance) C4'-P energy: -173.654
bonds (distance) P-C4' energy: -160.130
flat angles C4'-P-C4' energy: -196.216
flat angles P-C4'-P energy: -111.565
tors. eta vs tors. theta energy: -247.882
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: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2808.854843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.854843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.854843 (E_RNA)
where:
Base-Base interactions energy: -1929.201
where: short stacking energy: -811.349
Base-Backbone interact. energy: -5.733
local terms energy: -873.920845
where:
bonds (distance) C4'-P energy: -155.582
bonds (distance) P-C4' energy: -155.375
flat angles C4'-P-C4' energy: -208.459
flat angles P-C4'-P energy: -120.629
tors. eta vs tors. theta energy: -233.875
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: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2598.790716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.790716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.790716 (E_RNA)
where:
Base-Base interactions energy: -1761.961
where: short stacking energy: -734.175
Base-Backbone interact. energy: -2.397
local terms energy: -834.433027
where:
bonds (distance) C4'-P energy: -169.264
bonds (distance) P-C4' energy: -155.595
flat angles C4'-P-C4' energy: -183.189
flat angles P-C4'-P energy: -122.308
tors. eta vs tors. theta energy: -204.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2440.783614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.783614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.783614 (E_RNA)
where:
Base-Base interactions energy: -1618.201
where: short stacking energy: -688.872
Base-Backbone interact. energy: 2.008
local terms energy: -824.590380
where:
bonds (distance) C4'-P energy: -172.936
bonds (distance) P-C4' energy: -164.741
flat angles C4'-P-C4' energy: -174.344
flat angles P-C4'-P energy: -106.322
tors. eta vs tors. theta energy: -206.247
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: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2315.921566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.921566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.921566 (E_RNA)
where:
Base-Base interactions energy: -1569.200
where: short stacking energy: -678.496
Base-Backbone interact. energy: 0.429
local terms energy: -747.151482
where:
bonds (distance) C4'-P energy: -141.095
bonds (distance) P-C4' energy: -142.758
flat angles C4'-P-C4' energy: -173.181
flat angles P-C4'-P energy: -99.594
tors. eta vs tors. theta energy: -190.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1871.344773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.344773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.344773 (E_RNA)
where:
Base-Base interactions energy: -1242.613
where: short stacking energy: -561.323
Base-Backbone interact. energy: 1.562
local terms energy: -630.293380
where:
bonds (distance) C4'-P energy: -140.540
bonds (distance) P-C4' energy: -161.226
flat angles C4'-P-C4' energy: -130.451
flat angles P-C4'-P energy: -88.312
tors. eta vs tors. theta energy: -109.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1411.632924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.632924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.632924 (E_RNA)
where:
Base-Base interactions energy: -818.179
where: short stacking energy: -416.553
Base-Backbone interact. energy: -3.349
local terms energy: -590.104395
where:
bonds (distance) C4'-P energy: -140.491
bonds (distance) P-C4' energy: -160.613
flat angles C4'-P-C4' energy: -144.557
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -60.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1119.027100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.027100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.027100 (E_RNA)
where:
Base-Base interactions energy: -587.182
where: short stacking energy: -296.494
Base-Backbone interact. energy: 0.274
local terms energy: -532.118499
where:
bonds (distance) C4'-P energy: -137.340
bonds (distance) P-C4' energy: -169.191
flat angles C4'-P-C4' energy: -136.008
flat angles P-C4'-P energy: -77.908
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -697.497965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.497965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.497965 (E_RNA)
where:
Base-Base interactions energy: -228.717
where: short stacking energy: -183.210
Base-Backbone interact. energy: -2.476
local terms energy: -466.304744
where:
bonds (distance) C4'-P energy: -146.593
bonds (distance) P-C4' energy: -175.984
flat angles C4'-P-C4' energy: -112.160
flat angles P-C4'-P energy: -73.451
tors. eta vs tors. theta energy: 41.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -3044.036401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.036401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.036401 (E_RNA)
where:
Base-Base interactions energy: -2082.622
where: short stacking energy: -883.569
Base-Backbone interact. energy: -4.509
local terms energy: -956.905442
where:
bonds (distance) C4'-P energy: -177.113
bonds (distance) P-C4' energy: -179.056
flat angles C4'-P-C4' energy: -192.412
flat angles P-C4'-P energy: -144.952
tors. eta vs tors. theta energy: -263.372
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: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2899.578465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.578465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.578465 (E_RNA)
where:
Base-Base interactions energy: -1950.300
where: short stacking energy: -835.966
Base-Backbone interact. energy: -1.985
local terms energy: -947.293788
where:
bonds (distance) C4'-P energy: -180.590
bonds (distance) P-C4' energy: -166.418
flat angles C4'-P-C4' energy: -199.417
flat angles P-C4'-P energy: -146.651
tors. eta vs tors. theta energy: -254.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2783.034965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.034965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.034965 (E_RNA)
where:
Base-Base interactions energy: -1916.904
where: short stacking energy: -790.684
Base-Backbone interact. energy: -3.885
local terms energy: -862.246628
where:
bonds (distance) C4'-P energy: -170.997
bonds (distance) P-C4' energy: -126.892
flat angles C4'-P-C4' energy: -200.208
flat angles P-C4'-P energy: -132.086
tors. eta vs tors. theta energy: -232.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2651.764118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.764118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.764118 (E_RNA)
where:
Base-Base interactions energy: -1807.366
where: short stacking energy: -758.592
Base-Backbone interact. energy: -0.126
local terms energy: -844.272243
where:
bonds (distance) C4'-P energy: -132.308
bonds (distance) P-C4' energy: -165.006
flat angles C4'-P-C4' energy: -195.058
flat angles P-C4'-P energy: -125.993
tors. eta vs tors. theta energy: -225.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2473.592183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.592183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.592183 (E_RNA)
where:
Base-Base interactions energy: -1660.777
where: short stacking energy: -730.880
Base-Backbone interact. energy: -0.180
local terms energy: -812.635791
where:
bonds (distance) C4'-P energy: -141.808
bonds (distance) P-C4' energy: -148.087
flat angles C4'-P-C4' energy: -194.761
flat angles P-C4'-P energy: -127.698
tors. eta vs tors. theta energy: -200.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2356.760603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.760603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.760603 (E_RNA)
where:
Base-Base interactions energy: -1586.825
where: short stacking energy: -680.851
Base-Backbone interact. energy: -2.308
local terms energy: -767.627521
where:
bonds (distance) C4'-P energy: -141.192
bonds (distance) P-C4' energy: -164.326
flat angles C4'-P-C4' energy: -174.650
flat angles P-C4'-P energy: -101.796
tors. eta vs tors. theta energy: -185.665
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: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1947.859464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.859464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.859464 (E_RNA)
where:
Base-Base interactions energy: -1265.634
where: short stacking energy: -533.544
Base-Backbone interact. energy: 1.530
local terms energy: -683.755511
where:
bonds (distance) C4'-P energy: -143.734
bonds (distance) P-C4' energy: -154.990
flat angles C4'-P-C4' energy: -158.259
flat angles P-C4'-P energy: -102.775
tors. eta vs tors. theta energy: -123.998
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: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1500.016791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.016791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.016791 (E_RNA)
where:
Base-Base interactions energy: -895.469
where: short stacking energy: -421.633
Base-Backbone interact. energy: 3.230
local terms energy: -607.777986
where:
bonds (distance) C4'-P energy: -157.848
bonds (distance) P-C4' energy: -158.944
flat angles C4'-P-C4' energy: -152.750
flat angles P-C4'-P energy: -77.861
tors. eta vs tors. theta energy: -60.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1147.560007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.560007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.560007 (E_RNA)
where:
Base-Base interactions energy: -675.291
where: short stacking energy: -307.274
Base-Backbone interact. energy: 2.405
local terms energy: -474.673710
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -143.909
flat angles C4'-P-C4' energy: -132.514
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -8.851
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: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -661.727024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.727024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.727024 (E_RNA)
where:
Base-Base interactions energy: -220.995
where: short stacking energy: -176.874
Base-Backbone interact. energy: -2.107
local terms energy: -438.624839
where:
bonds (distance) C4'-P energy: -149.999
bonds (distance) P-C4' energy: -139.304
flat angles C4'-P-C4' energy: -120.653
flat angles P-C4'-P energy: -83.399
tors. eta vs tors. theta energy: 54.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -3040.459851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.459851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.459851 (E_RNA)
where:
Base-Base interactions energy: -2072.226
where: short stacking energy: -872.070
Base-Backbone interact. energy: -3.684
local terms energy: -964.549927
where:
bonds (distance) C4'-P energy: -171.423
bonds (distance) P-C4' energy: -170.518
flat angles C4'-P-C4' energy: -208.816
flat angles P-C4'-P energy: -139.550
tors. eta vs tors. theta energy: -274.242
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: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2853.351286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.351286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.351286 (E_RNA)
where:
Base-Base interactions energy: -1904.954
where: short stacking energy: -811.321
Base-Backbone interact. energy: 2.919
local terms energy: -951.316083
where:
bonds (distance) C4'-P energy: -182.285
bonds (distance) P-C4' energy: -181.859
flat angles C4'-P-C4' energy: -210.017
flat angles P-C4'-P energy: -132.288
tors. eta vs tors. theta energy: -244.867
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: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2785.456669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.456669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.456669 (E_RNA)
where:
Base-Base interactions energy: -1902.471
where: short stacking energy: -782.760
Base-Backbone interact. energy: 0.473
local terms energy: -883.458723
where:
bonds (distance) C4'-P energy: -162.998
bonds (distance) P-C4' energy: -169.250
flat angles C4'-P-C4' energy: -195.337
flat angles P-C4'-P energy: -122.635
tors. eta vs tors. theta energy: -233.238
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: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2668.395517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.395517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.395517 (E_RNA)
where:
Base-Base interactions energy: -1788.966
where: short stacking energy: -769.827
Base-Backbone interact. energy: 0.972
local terms energy: -880.401818
where:
bonds (distance) C4'-P energy: -164.398
bonds (distance) P-C4' energy: -163.448
flat angles C4'-P-C4' energy: -187.795
flat angles P-C4'-P energy: -129.199
tors. eta vs tors. theta energy: -235.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2452.810853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.810853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.810853 (E_RNA)
where:
Base-Base interactions energy: -1653.370
where: short stacking energy: -736.606
Base-Backbone interact. energy: -3.081
local terms energy: -796.359782
where:
bonds (distance) C4'-P energy: -153.384
bonds (distance) P-C4' energy: -159.948
flat angles C4'-P-C4' energy: -180.263
flat angles P-C4'-P energy: -103.711
tors. eta vs tors. theta energy: -199.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2376.176474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.176474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.176474 (E_RNA)
where:
Base-Base interactions energy: -1630.587
where: short stacking energy: -676.555
Base-Backbone interact. energy: -4.013
local terms energy: -741.576486
where:
bonds (distance) C4'-P energy: -150.712
bonds (distance) P-C4' energy: -120.717
flat angles C4'-P-C4' energy: -177.050
flat angles P-C4'-P energy: -104.683
tors. eta vs tors. theta energy: -188.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1915.569971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.569971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.569971 (E_RNA)
where:
Base-Base interactions energy: -1257.142
where: short stacking energy: -561.831
Base-Backbone interact. energy: -1.407
local terms energy: -657.021065
where:
bonds (distance) C4'-P energy: -106.880
bonds (distance) P-C4' energy: -154.048
flat angles C4'-P-C4' energy: -149.434
flat angles P-C4'-P energy: -115.969
tors. eta vs tors. theta energy: -130.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1525.817933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.817933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.817933 (E_RNA)
where:
Base-Base interactions energy: -957.252
where: short stacking energy: -430.011
Base-Backbone interact. energy: -0.637
local terms energy: -567.928535
where:
bonds (distance) C4'-P energy: -115.775
bonds (distance) P-C4' energy: -156.837
flat angles C4'-P-C4' energy: -138.022
flat angles P-C4'-P energy: -81.930
tors. eta vs tors. theta energy: -75.364
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: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1252.010469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.010469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.010469 (E_RNA)
where:
Base-Base interactions energy: -725.643
where: short stacking energy: -359.891
Base-Backbone interact. energy: 0.683
local terms energy: -527.050523
where:
bonds (distance) C4'-P energy: -141.454
bonds (distance) P-C4' energy: -135.163
flat angles C4'-P-C4' energy: -130.862
flat angles P-C4'-P energy: -93.757
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -652.729716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.729716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.729716 (E_RNA)
where:
Base-Base interactions energy: -224.797
where: short stacking energy: -166.578
Base-Backbone interact. energy: -0.268
local terms energy: -427.664263
where:
bonds (distance) C4'-P energy: -148.984
bonds (distance) P-C4' energy: -133.928
flat angles C4'-P-C4' energy: -120.748
flat angles P-C4'-P energy: -59.174
tors. eta vs tors. theta energy: 35.171
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: 204
Temperature: 0.900000
Total energy: -3049.378452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.378452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.378452 (E_RNA)
where:
Base-Base interactions energy: -2070.415
where: short stacking energy: -870.002
Base-Backbone interact. energy: -2.900
local terms energy: -976.063476
where:
bonds (distance) C4'-P energy: -178.183
bonds (distance) P-C4' energy: -190.485
flat angles C4'-P-C4' energy: -213.935
flat angles P-C4'-P energy: -132.301
tors. eta vs tors. theta energy: -261.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2855.157962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.157962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.157962 (E_RNA)
where:
Base-Base interactions energy: -1949.888
where: short stacking energy: -811.877
Base-Backbone interact. energy: -5.776
local terms energy: -899.493732
where:
bonds (distance) C4'-P energy: -180.404
bonds (distance) P-C4' energy: -173.372
flat angles C4'-P-C4' energy: -180.859
flat angles P-C4'-P energy: -138.732
tors. eta vs tors. theta energy: -226.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2806.300789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.300789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.300789 (E_RNA)
where:
Base-Base interactions energy: -1936.664
where: short stacking energy: -784.230
Base-Backbone interact. energy: -4.953
local terms energy: -864.683719
where:
bonds (distance) C4'-P energy: -153.115
bonds (distance) P-C4' energy: -153.220
flat angles C4'-P-C4' energy: -200.644
flat angles P-C4'-P energy: -125.313
tors. eta vs tors. theta energy: -232.392
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: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2632.667887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.667887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.667887 (E_RNA)
where:
Base-Base interactions energy: -1791.673
where: short stacking energy: -767.842
Base-Backbone interact. energy: -1.425
local terms energy: -839.569925
where:
bonds (distance) C4'-P energy: -151.670
bonds (distance) P-C4' energy: -168.387
flat angles C4'-P-C4' energy: -192.967
flat angles P-C4'-P energy: -101.705
tors. eta vs tors. theta energy: -224.840
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: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2516.344381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.344381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.344381 (E_RNA)
where:
Base-Base interactions energy: -1689.961
where: short stacking energy: -720.137
Base-Backbone interact. energy: -3.686
local terms energy: -822.697011
where:
bonds (distance) C4'-P energy: -151.709
bonds (distance) P-C4' energy: -169.965
flat angles C4'-P-C4' energy: -190.853
flat angles P-C4'-P energy: -117.451
tors. eta vs tors. theta energy: -192.719
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: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2393.757051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.757051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.757051 (E_RNA)
where:
Base-Base interactions energy: -1581.937
where: short stacking energy: -690.264
Base-Backbone interact. energy: 1.447
local terms energy: -813.266496
where:
bonds (distance) C4'-P energy: -145.341
bonds (distance) P-C4' energy: -163.761
flat angles C4'-P-C4' energy: -183.906
flat angles P-C4'-P energy: -120.210
tors. eta vs tors. theta energy: -200.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1873.070542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.070542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.070542 (E_RNA)
where:
Base-Base interactions energy: -1229.324
where: short stacking energy: -536.522
Base-Backbone interact. energy: 9.279
local terms energy: -653.026167
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -159.787
flat angles C4'-P-C4' energy: -171.719
flat angles P-C4'-P energy: -108.192
tors. eta vs tors. theta energy: -94.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1605.401967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.401967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.401967 (E_RNA)
where:
Base-Base interactions energy: -998.487
where: short stacking energy: -435.181
Base-Backbone interact. energy: 0.454
local terms energy: -607.368605
where:
bonds (distance) C4'-P energy: -128.045
bonds (distance) P-C4' energy: -155.279
flat angles C4'-P-C4' energy: -138.255
flat angles P-C4'-P energy: -102.527
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: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1192.378997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.378997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.378997 (E_RNA)
where:
Base-Base interactions energy: -627.584
where: short stacking energy: -329.067
Base-Backbone interact. energy: 2.960
local terms energy: -567.755517
where:
bonds (distance) C4'-P energy: -152.220
bonds (distance) P-C4' energy: -169.652
flat angles C4'-P-C4' energy: -145.931
flat angles P-C4'-P energy: -78.209
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -678.395719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.395719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.395719 (E_RNA)
where:
Base-Base interactions energy: -253.832
where: short stacking energy: -195.008
Base-Backbone interact. energy: 0.622
local terms energy: -425.186074
where:
bonds (distance) C4'-P energy: -123.549
bonds (distance) P-C4' energy: -144.649
flat angles C4'-P-C4' energy: -131.614
flat angles P-C4'-P energy: -71.018
tors. eta vs tors. theta energy: 45.644
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: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -3043.908228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3043.908228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3043.908228 (E_RNA)
where:
Base-Base interactions energy: -2083.282
where: short stacking energy: -850.267
Base-Backbone interact. energy: -1.271
local terms energy: -959.355631
where:
bonds (distance) C4'-P energy: -186.604
bonds (distance) P-C4' energy: -177.775
flat angles C4'-P-C4' energy: -201.547
flat angles P-C4'-P energy: -135.197
tors. eta vs tors. theta energy: -258.233
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: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2929.678093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.678093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.678093 (E_RNA)
where:
Base-Base interactions energy: -1992.351
where: short stacking energy: -855.542
Base-Backbone interact. energy: -6.193
local terms energy: -931.133849
where:
bonds (distance) C4'-P energy: -176.615
bonds (distance) P-C4' energy: -167.550
flat angles C4'-P-C4' energy: -204.092
flat angles P-C4'-P energy: -132.892
tors. eta vs tors. theta energy: -249.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2808.421758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.421758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.421758 (E_RNA)
where:
Base-Base interactions energy: -1902.497
where: short stacking energy: -789.932
Base-Backbone interact. energy: -3.434
local terms energy: -902.491023
where:
bonds (distance) C4'-P energy: -164.801
bonds (distance) P-C4' energy: -172.975
flat angles C4'-P-C4' energy: -200.907
flat angles P-C4'-P energy: -126.529
tors. eta vs tors. theta energy: -237.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2676.942211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.942211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.942211 (E_RNA)
where:
Base-Base interactions energy: -1818.279
where: short stacking energy: -726.597
Base-Backbone interact. energy: -5.738
local terms energy: -852.925308
where:
bonds (distance) C4'-P energy: -150.252
bonds (distance) P-C4' energy: -179.366
flat angles C4'-P-C4' energy: -186.420
flat angles P-C4'-P energy: -126.867
tors. eta vs tors. theta energy: -210.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2467.649692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.649692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.649692 (E_RNA)
where:
Base-Base interactions energy: -1618.061
where: short stacking energy: -702.934
Base-Backbone interact. energy: -1.871
local terms energy: -847.717967
where:
bonds (distance) C4'-P energy: -164.172
bonds (distance) P-C4' energy: -169.103
flat angles C4'-P-C4' energy: -189.921
flat angles P-C4'-P energy: -123.181
tors. eta vs tors. theta energy: -201.341
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: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2334.109550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.109550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.109550 (E_RNA)
where:
Base-Base interactions energy: -1577.832
where: short stacking energy: -680.620
Base-Backbone interact. energy: -3.571
local terms energy: -752.706064
where:
bonds (distance) C4'-P energy: -143.031
bonds (distance) P-C4' energy: -151.545
flat angles C4'-P-C4' energy: -170.949
flat angles P-C4'-P energy: -108.048
tors. eta vs tors. theta energy: -179.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1927.286736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.286736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.286736 (E_RNA)
where:
Base-Base interactions energy: -1293.351
where: short stacking energy: -542.165
Base-Backbone interact. energy: -3.318
local terms energy: -630.617338
where:
bonds (distance) C4'-P energy: -149.082
bonds (distance) P-C4' energy: -153.916
flat angles C4'-P-C4' energy: -144.141
flat angles P-C4'-P energy: -72.141
tors. eta vs tors. theta energy: -111.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1542.479093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.479093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.479093 (E_RNA)
where:
Base-Base interactions energy: -951.356
where: short stacking energy: -434.701
Base-Backbone interact. energy: 4.856
local terms energy: -595.978400
where:
bonds (distance) C4'-P energy: -156.945
bonds (distance) P-C4' energy: -141.877
flat angles C4'-P-C4' energy: -129.068
flat angles P-C4'-P energy: -100.605
tors. eta vs tors. theta energy: -67.484
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: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1156.329892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.329892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.329892 (E_RNA)
where:
Base-Base interactions energy: -619.691
where: short stacking energy: -300.302
Base-Backbone interact. energy: -2.011
local terms energy: -534.628103
where:
bonds (distance) C4'-P energy: -129.567
bonds (distance) P-C4' energy: -164.607
flat angles C4'-P-C4' energy: -126.887
flat angles P-C4'-P energy: -89.688
tors. eta vs tors. theta energy: -23.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -681.684808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.684808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.684808 (E_RNA)
where:
Base-Base interactions energy: -228.705
where: short stacking energy: -183.716
Base-Backbone interact. energy: 3.328
local terms energy: -456.307941
where:
bonds (distance) C4'-P energy: -118.777
bonds (distance) P-C4' energy: -156.655
flat angles C4'-P-C4' energy: -134.668
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: 23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -3044.381328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.381328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.381328 (E_RNA)
where:
Base-Base interactions energy: -2056.690
where: short stacking energy: -879.248
Base-Backbone interact. energy: -3.659
local terms energy: -984.032444
where:
bonds (distance) C4'-P energy: -193.659
bonds (distance) P-C4' energy: -183.935
flat angles C4'-P-C4' energy: -214.941
flat angles P-C4'-P energy: -120.816
tors. eta vs tors. theta energy: -270.682
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2860.176431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.176431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.176431 (E_RNA)
where:
Base-Base interactions energy: -1928.153
where: short stacking energy: -817.345
Base-Backbone interact. energy: -6.079
local terms energy: -925.944843
where:
bonds (distance) C4'-P energy: -164.673
bonds (distance) P-C4' energy: -176.882
flat angles C4'-P-C4' energy: -195.312
flat angles P-C4'-P energy: -128.488
tors. eta vs tors. theta energy: -260.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2782.257322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.257322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.257322 (E_RNA)
where:
Base-Base interactions energy: -1866.439
where: short stacking energy: -785.102
Base-Backbone interact. energy: -4.068
local terms energy: -911.751015
where:
bonds (distance) C4'-P energy: -186.821
bonds (distance) P-C4' energy: -173.826
flat angles C4'-P-C4' energy: -193.923
flat angles P-C4'-P energy: -119.784
tors. eta vs tors. theta energy: -237.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2629.299610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.299610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.299610 (E_RNA)
where:
Base-Base interactions energy: -1751.965
where: short stacking energy: -717.696
Base-Backbone interact. energy: -0.952
local terms energy: -876.382886
where:
bonds (distance) C4'-P energy: -174.766
bonds (distance) P-C4' energy: -175.787
flat angles C4'-P-C4' energy: -195.654
flat angles P-C4'-P energy: -124.613
tors. eta vs tors. theta energy: -205.563
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: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2460.737061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.737061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.737061 (E_RNA)
where:
Base-Base interactions energy: -1651.636
where: short stacking energy: -693.360
Base-Backbone interact. energy: -1.989
local terms energy: -807.111503
where:
bonds (distance) C4'-P energy: -152.033
bonds (distance) P-C4' energy: -175.678
flat angles C4'-P-C4' energy: -184.201
flat angles P-C4'-P energy: -102.594
tors. eta vs tors. theta energy: -192.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2328.236495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.236495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.236495 (E_RNA)
where:
Base-Base interactions energy: -1557.139
where: short stacking energy: -655.809
Base-Backbone interact. energy: -4.134
local terms energy: -766.963527
where:
bonds (distance) C4'-P energy: -130.527
bonds (distance) P-C4' energy: -172.734
flat angles C4'-P-C4' energy: -168.184
flat angles P-C4'-P energy: -112.620
tors. eta vs tors. theta energy: -182.899
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: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1914.672526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.672526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.672526 (E_RNA)
where:
Base-Base interactions energy: -1202.437
where: short stacking energy: -526.605
Base-Backbone interact. energy: -1.839
local terms energy: -710.397391
where:
bonds (distance) C4'-P energy: -141.396
bonds (distance) P-C4' energy: -162.467
flat angles C4'-P-C4' energy: -175.387
flat angles P-C4'-P energy: -109.386
tors. eta vs tors. theta energy: -121.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1596.328900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.328900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.328900 (E_RNA)
where:
Base-Base interactions energy: -966.007
where: short stacking energy: -447.558
Base-Backbone interact. energy: -2.612
local terms energy: -627.709634
where:
bonds (distance) C4'-P energy: -151.132
bonds (distance) P-C4' energy: -150.925
flat angles C4'-P-C4' energy: -156.552
flat angles P-C4'-P energy: -83.184
tors. eta vs tors. theta energy: -85.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1189.248323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.248323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.248323 (E_RNA)
where:
Base-Base interactions energy: -648.107
where: short stacking energy: -333.276
Base-Backbone interact. energy: -1.618
local terms energy: -539.523185
where:
bonds (distance) C4'-P energy: -139.729
bonds (distance) P-C4' energy: -155.284
flat angles C4'-P-C4' energy: -139.074
flat angles P-C4'-P energy: -71.117
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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -689.543362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.543362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.543362 (E_RNA)
where:
Base-Base interactions energy: -247.077
where: short stacking energy: -196.575
Base-Backbone interact. energy: 1.025
local terms energy: -443.491228
where:
bonds (distance) C4'-P energy: -129.271
bonds (distance) P-C4' energy: -153.276
flat angles C4'-P-C4' energy: -110.207
flat angles P-C4'-P energy: -88.555
tors. eta vs tors. theta energy: 37.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -3049.777373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.777373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.777373 (E_RNA)
where:
Base-Base interactions energy: -2057.717
where: short stacking energy: -897.661
Base-Backbone interact. energy: -3.731
local terms energy: -988.329504
where:
bonds (distance) C4'-P energy: -188.321
bonds (distance) P-C4' energy: -185.265
flat angles C4'-P-C4' energy: -213.776
flat angles P-C4'-P energy: -129.221
tors. eta vs tors. theta energy: -271.747
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: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2904.183927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.183927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.183927 (E_RNA)
where:
Base-Base interactions energy: -1963.801
where: short stacking energy: -838.983
Base-Backbone interact. energy: -3.687
local terms energy: -936.695530
where:
bonds (distance) C4'-P energy: -191.225
bonds (distance) P-C4' energy: -172.038
flat angles C4'-P-C4' energy: -195.106
flat angles P-C4'-P energy: -126.686
tors. eta vs tors. theta energy: -251.640
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: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2771.806315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.806315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.806315 (E_RNA)
where:
Base-Base interactions energy: -1886.015
where: short stacking energy: -796.583
Base-Backbone interact. energy: -5.048
local terms energy: -880.743357
where:
bonds (distance) C4'-P energy: -165.446
bonds (distance) P-C4' energy: -183.412
flat angles C4'-P-C4' energy: -179.720
flat angles P-C4'-P energy: -110.547
tors. eta vs tors. theta energy: -241.618
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: 207
Temperature: 1.050000
Total energy: -2667.633070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.633070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.633070 (E_RNA)
where:
Base-Base interactions energy: -1782.582
where: short stacking energy: -753.692
Base-Backbone interact. energy: -2.618
local terms energy: -882.433032
where:
bonds (distance) C4'-P energy: -166.643
bonds (distance) P-C4' energy: -169.262
flat angles C4'-P-C4' energy: -195.281
flat angles P-C4'-P energy: -122.346
tors. eta vs tors. theta energy: -228.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2504.088103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.088103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.088103 (E_RNA)
where:
Base-Base interactions energy: -1721.890
where: short stacking energy: -733.499
Base-Backbone interact. energy: -2.897
local terms energy: -779.301432
where:
bonds (distance) C4'-P energy: -154.491
bonds (distance) P-C4' energy: -143.097
flat angles C4'-P-C4' energy: -168.309
flat angles P-C4'-P energy: -110.495
tors. eta vs tors. theta energy: -202.909
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: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2396.360757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.360757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.360757 (E_RNA)
where:
Base-Base interactions energy: -1614.852
where: short stacking energy: -707.082
Base-Backbone interact. energy: -3.447
local terms energy: -778.061792
where:
bonds (distance) C4'-P energy: -147.590
bonds (distance) P-C4' energy: -154.583
flat angles C4'-P-C4' energy: -168.359
flat angles P-C4'-P energy: -116.054
tors. eta vs tors. theta energy: -191.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1879.311698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.311698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.311698 (E_RNA)
where:
Base-Base interactions energy: -1220.509
where: short stacking energy: -570.547
Base-Backbone interact. energy: 7.777
local terms energy: -666.579978
where:
bonds (distance) C4'-P energy: -150.496
bonds (distance) P-C4' energy: -136.676
flat angles C4'-P-C4' energy: -148.381
flat angles P-C4'-P energy: -109.634
tors. eta vs tors. theta energy: -121.393
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: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1526.638938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.638938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.638938 (E_RNA)
where:
Base-Base interactions energy: -917.686
where: short stacking energy: -423.496
Base-Backbone interact. energy: -0.801
local terms energy: -608.152178
where:
bonds (distance) C4'-P energy: -147.432
bonds (distance) P-C4' energy: -160.217
flat angles C4'-P-C4' energy: -154.849
flat angles P-C4'-P energy: -93.330
tors. eta vs tors. theta energy: -52.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1180.124410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.124410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.124410 (E_RNA)
where:
Base-Base interactions energy: -619.075
where: short stacking energy: -329.144
Base-Backbone interact. energy: 3.288
local terms energy: -564.336504
where:
bonds (distance) C4'-P energy: -129.422
bonds (distance) P-C4' energy: -160.208
flat angles C4'-P-C4' energy: -158.734
flat angles P-C4'-P energy: -107.337
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -679.993541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.993541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.993541 (E_RNA)
where:
Base-Base interactions energy: -249.583
where: short stacking energy: -187.204
Base-Backbone interact. energy: -0.908
local terms energy: -429.502115
where:
bonds (distance) C4'-P energy: -151.261
bonds (distance) P-C4' energy: -140.915
flat angles C4'-P-C4' energy: -102.247
flat angles P-C4'-P energy: -78.050
tors. eta vs tors. theta energy: 42.971
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: 208
Temperature: 0.900000
Total energy: -3061.878931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.878931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.878931 (E_RNA)
where:
Base-Base interactions energy: -2099.255
where: short stacking energy: -853.554
Base-Backbone interact. energy: -2.953
local terms energy: -959.670560
where:
bonds (distance) C4'-P energy: -184.768
bonds (distance) P-C4' energy: -176.367
flat angles C4'-P-C4' energy: -214.491
flat angles P-C4'-P energy: -133.429
tors. eta vs tors. theta energy: -250.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2944.332566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.332566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.332566 (E_RNA)
where:
Base-Base interactions energy: -2041.261
where: short stacking energy: -874.163
Base-Backbone interact. energy: -5.422
local terms energy: -897.649955
where:
bonds (distance) C4'-P energy: -174.884
bonds (distance) P-C4' energy: -152.898
flat angles C4'-P-C4' energy: -197.578
flat angles P-C4'-P energy: -127.051
tors. eta vs tors. theta energy: -245.239
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: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2805.948570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.948570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.948570 (E_RNA)
where:
Base-Base interactions energy: -1887.798
where: short stacking energy: -800.305
Base-Backbone interact. energy: -4.266
local terms energy: -913.884459
where:
bonds (distance) C4'-P energy: -165.330
bonds (distance) P-C4' energy: -175.735
flat angles C4'-P-C4' energy: -197.348
flat angles P-C4'-P energy: -128.270
tors. eta vs tors. theta energy: -247.202
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: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2603.656130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.656130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.656130 (E_RNA)
where:
Base-Base interactions energy: -1769.809
where: short stacking energy: -737.460
Base-Backbone interact. energy: -0.239
local terms energy: -833.607722
where:
bonds (distance) C4'-P energy: -162.211
bonds (distance) P-C4' energy: -174.735
flat angles C4'-P-C4' energy: -180.222
flat angles P-C4'-P energy: -109.123
tors. eta vs tors. theta energy: -207.316
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2542.513312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.513312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.513312 (E_RNA)
where:
Base-Base interactions energy: -1736.395
where: short stacking energy: -733.917
Base-Backbone interact. energy: -3.432
local terms energy: -802.686122
where:
bonds (distance) C4'-P energy: -130.371
bonds (distance) P-C4' energy: -157.181
flat angles C4'-P-C4' energy: -188.677
flat angles P-C4'-P energy: -115.929
tors. eta vs tors. theta energy: -210.528
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: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2424.135628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.135628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.135628 (E_RNA)
where:
Base-Base interactions energy: -1609.469
where: short stacking energy: -704.846
Base-Backbone interact. energy: -3.291
local terms energy: -811.375917
where:
bonds (distance) C4'-P energy: -159.735
bonds (distance) P-C4' energy: -165.593
flat angles C4'-P-C4' energy: -176.264
flat angles P-C4'-P energy: -100.861
tors. eta vs tors. theta energy: -208.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1857.326548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.326548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.326548 (E_RNA)
where:
Base-Base interactions energy: -1210.911
where: short stacking energy: -517.272
Base-Backbone interact. energy: -3.861
local terms energy: -642.554664
where:
bonds (distance) C4'-P energy: -135.158
bonds (distance) P-C4' energy: -148.091
flat angles C4'-P-C4' energy: -151.196
flat angles P-C4'-P energy: -103.442
tors. eta vs tors. theta energy: -104.668
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: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1554.359456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.359456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.359456 (E_RNA)
where:
Base-Base interactions energy: -937.619
where: short stacking energy: -454.124
Base-Backbone interact. energy: 3.375
local terms energy: -620.114775
where:
bonds (distance) C4'-P energy: -140.889
bonds (distance) P-C4' energy: -158.214
flat angles C4'-P-C4' energy: -149.598
flat angles P-C4'-P energy: -87.743
tors. eta vs tors. theta energy: -83.670
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: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1051.438582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.438582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.438582 (E_RNA)
where:
Base-Base interactions energy: -531.205
where: short stacking energy: -285.424
Base-Backbone interact. energy: -1.724
local terms energy: -518.509738
where:
bonds (distance) C4'-P energy: -141.851
bonds (distance) P-C4' energy: -157.310
flat angles C4'-P-C4' energy: -137.439
flat angles P-C4'-P energy: -92.939
tors. eta vs tors. theta energy: 11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -712.836691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.836691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.836691 (E_RNA)
where:
Base-Base interactions energy: -268.536
where: short stacking energy: -205.241
Base-Backbone interact. energy: 12.969
local terms energy: -457.269258
where:
bonds (distance) C4'-P energy: -164.664
bonds (distance) P-C4' energy: -152.284
flat angles C4'-P-C4' energy: -120.528
flat angles P-C4'-P energy: -44.059
tors. eta vs tors. theta energy: 24.264
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: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -3070.845295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3070.845295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3070.845295 (E_RNA)
where:
Base-Base interactions energy: -2108.380
where: short stacking energy: -887.102
Base-Backbone interact. energy: -8.956
local terms energy: -953.509090
where:
bonds (distance) C4'-P energy: -172.003
bonds (distance) P-C4' energy: -173.011
flat angles C4'-P-C4' energy: -220.109
flat angles P-C4'-P energy: -134.590
tors. eta vs tors. theta energy: -253.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2956.307094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.307094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.307094 (E_RNA)
where:
Base-Base interactions energy: -2017.226
where: short stacking energy: -828.300
Base-Backbone interact. energy: -5.246
local terms energy: -933.835506
where:
bonds (distance) C4'-P energy: -161.579
bonds (distance) P-C4' energy: -180.839
flat angles C4'-P-C4' energy: -206.061
flat angles P-C4'-P energy: -139.367
tors. eta vs tors. theta energy: -245.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2813.243179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.243179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.243179 (E_RNA)
where:
Base-Base interactions energy: -1926.822
where: short stacking energy: -803.917
Base-Backbone interact. energy: -2.230
local terms energy: -884.191150
where:
bonds (distance) C4'-P energy: -160.290
bonds (distance) P-C4' energy: -171.407
flat angles C4'-P-C4' energy: -196.305
flat angles P-C4'-P energy: -120.462
tors. eta vs tors. theta energy: -235.728
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: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2643.904850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.904850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.904850 (E_RNA)
where:
Base-Base interactions energy: -1824.399
where: short stacking energy: -729.435
Base-Backbone interact. energy: 1.549
local terms energy: -821.054829
where:
bonds (distance) C4'-P energy: -146.668
bonds (distance) P-C4' energy: -172.528
flat angles C4'-P-C4' energy: -188.162
flat angles P-C4'-P energy: -113.970
tors. eta vs tors. theta energy: -199.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2588.225167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.225167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.225167 (E_RNA)
where:
Base-Base interactions energy: -1747.009
where: short stacking energy: -746.406
Base-Backbone interact. energy: -3.103
local terms energy: -838.113547
where:
bonds (distance) C4'-P energy: -167.519
bonds (distance) P-C4' energy: -161.857
flat angles C4'-P-C4' energy: -188.771
flat angles P-C4'-P energy: -110.855
tors. eta vs tors. theta energy: -209.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2346.975136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.975136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.975136 (E_RNA)
where:
Base-Base interactions energy: -1546.719
where: short stacking energy: -682.307
Base-Backbone interact. energy: -3.432
local terms energy: -796.824020
where:
bonds (distance) C4'-P energy: -169.036
bonds (distance) P-C4' energy: -171.961
flat angles C4'-P-C4' energy: -168.000
flat angles P-C4'-P energy: -96.591
tors. eta vs tors. theta energy: -191.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1833.817059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.817059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.817059 (E_RNA)
where:
Base-Base interactions energy: -1186.297
where: short stacking energy: -525.590
Base-Backbone interact. energy: -2.559
local terms energy: -644.961360
where:
bonds (distance) C4'-P energy: -147.879
bonds (distance) P-C4' energy: -148.924
flat angles C4'-P-C4' energy: -151.741
flat angles P-C4'-P energy: -105.165
tors. eta vs tors. theta energy: -91.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1529.648521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.648521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.648521 (E_RNA)
where:
Base-Base interactions energy: -918.980
where: short stacking energy: -431.556
Base-Backbone interact. energy: 7.487
local terms energy: -618.155085
where:
bonds (distance) C4'-P energy: -129.810
bonds (distance) P-C4' energy: -141.597
flat angles C4'-P-C4' energy: -160.274
flat angles P-C4'-P energy: -98.757
tors. eta vs tors. theta energy: -87.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1024.156767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.156767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.156767 (E_RNA)
where:
Base-Base interactions energy: -504.103
where: short stacking energy: -289.856
Base-Backbone interact. energy: -1.491
local terms energy: -518.562676
where:
bonds (distance) C4'-P energy: -135.373
bonds (distance) P-C4' energy: -160.553
flat angles C4'-P-C4' energy: -142.625
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -693.972518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.972518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.972518 (E_RNA)
where:
Base-Base interactions energy: -277.201
where: short stacking energy: -216.977
Base-Backbone interact. energy: -1.564
local terms energy: -415.208467
where:
bonds (distance) C4'-P energy: -115.137
bonds (distance) P-C4' energy: -143.377
flat angles C4'-P-C4' energy: -106.612
flat angles P-C4'-P energy: -81.647
tors. eta vs tors. theta energy: 31.565
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: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -3098.784783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3098.784783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3098.784783 (E_RNA)
where:
Base-Base interactions energy: -2119.447
where: short stacking energy: -906.651
Base-Backbone interact. energy: -4.691
local terms energy: -974.647405
where:
bonds (distance) C4'-P energy: -182.358
bonds (distance) P-C4' energy: -190.950
flat angles C4'-P-C4' energy: -198.652
flat angles P-C4'-P energy: -133.705
tors. eta vs tors. theta energy: -268.982
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: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2970.281161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.281161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.281161 (E_RNA)
where:
Base-Base interactions energy: -2086.093
where: short stacking energy: -833.677
Base-Backbone interact. energy: -6.050
local terms energy: -878.138133
where:
bonds (distance) C4'-P energy: -149.307
bonds (distance) P-C4' energy: -162.986
flat angles C4'-P-C4' energy: -188.046
flat angles P-C4'-P energy: -128.477
tors. eta vs tors. theta energy: -249.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2829.566006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.566006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.566006 (E_RNA)
where:
Base-Base interactions energy: -1925.426
where: short stacking energy: -795.201
Base-Backbone interact. energy: -5.464
local terms energy: -898.675651
where:
bonds (distance) C4'-P energy: -156.279
bonds (distance) P-C4' energy: -168.142
flat angles C4'-P-C4' energy: -211.162
flat angles P-C4'-P energy: -120.305
tors. eta vs tors. theta energy: -242.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2626.857183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.857183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.857183 (E_RNA)
where:
Base-Base interactions energy: -1765.365
where: short stacking energy: -745.084
Base-Backbone interact. energy: -2.833
local terms energy: -858.659517
where:
bonds (distance) C4'-P energy: -152.004
bonds (distance) P-C4' energy: -171.192
flat angles C4'-P-C4' energy: -195.377
flat angles P-C4'-P energy: -122.167
tors. eta vs tors. theta energy: -217.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2549.667046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.667046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.667046 (E_RNA)
where:
Base-Base interactions energy: -1732.322
where: short stacking energy: -724.787
Base-Backbone interact. energy: 3.264
local terms energy: -820.608925
where:
bonds (distance) C4'-P energy: -157.564
bonds (distance) P-C4' energy: -165.545
flat angles C4'-P-C4' energy: -171.117
flat angles P-C4'-P energy: -123.671
tors. eta vs tors. theta energy: -202.711
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2313.675069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.675069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.675069 (E_RNA)
where:
Base-Base interactions energy: -1527.971
where: short stacking energy: -667.904
Base-Backbone interact. energy: -2.568
local terms energy: -783.136166
where:
bonds (distance) C4'-P energy: -170.116
bonds (distance) P-C4' energy: -140.426
flat angles C4'-P-C4' energy: -177.097
flat angles P-C4'-P energy: -115.642
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: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1799.622149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.622149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.622149 (E_RNA)
where:
Base-Base interactions energy: -1150.620
where: short stacking energy: -546.282
Base-Backbone interact. energy: 7.291
local terms energy: -656.292876
where:
bonds (distance) C4'-P energy: -139.406
bonds (distance) P-C4' energy: -145.960
flat angles C4'-P-C4' energy: -157.785
flat angles P-C4'-P energy: -97.254
tors. eta vs tors. theta energy: -115.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1501.567849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.567849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.567849 (E_RNA)
where:
Base-Base interactions energy: -898.320
where: short stacking energy: -443.932
Base-Backbone interact. energy: -4.198
local terms energy: -599.050302
where:
bonds (distance) C4'-P energy: -140.914
bonds (distance) P-C4' energy: -166.191
flat angles C4'-P-C4' energy: -139.316
flat angles P-C4'-P energy: -82.683
tors. eta vs tors. theta energy: -69.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1032.770795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.770795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.770795 (E_RNA)
where:
Base-Base interactions energy: -495.742
where: short stacking energy: -258.651
Base-Backbone interact. energy: 4.879
local terms energy: -541.908404
where:
bonds (distance) C4'-P energy: -148.972
bonds (distance) P-C4' energy: -169.134
flat angles C4'-P-C4' energy: -151.085
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: 2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -774.699647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.699647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.699647 (E_RNA)
where:
Base-Base interactions energy: -324.138
where: short stacking energy: -218.990
Base-Backbone interact. energy: 8.316
local terms energy: -458.877163
where:
bonds (distance) C4'-P energy: -138.479
bonds (distance) P-C4' energy: -145.094
flat angles C4'-P-C4' energy: -123.561
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: 37.138
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: 211
Temperature: 0.900000
Total energy: -3071.778043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3071.778043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3071.778043 (E_RNA)
where:
Base-Base interactions energy: -2087.638
where: short stacking energy: -863.935
Base-Backbone interact. energy: -6.291
local terms energy: -977.849398
where:
bonds (distance) C4'-P energy: -188.732
bonds (distance) P-C4' energy: -185.364
flat angles C4'-P-C4' energy: -196.026
flat angles P-C4'-P energy: -144.455
tors. eta vs tors. theta energy: -263.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2911.163589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.163589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.163589 (E_RNA)
where:
Base-Base interactions energy: -1990.280
where: short stacking energy: -845.058
Base-Backbone interact. energy: -3.655
local terms energy: -917.228488
where:
bonds (distance) C4'-P energy: -174.696
bonds (distance) P-C4' energy: -189.780
flat angles C4'-P-C4' energy: -198.218
flat angles P-C4'-P energy: -119.239
tors. eta vs tors. theta energy: -235.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2797.867696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.867696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.867696 (E_RNA)
where:
Base-Base interactions energy: -1908.203
where: short stacking energy: -816.448
Base-Backbone interact. energy: -3.878
local terms energy: -885.786162
where:
bonds (distance) C4'-P energy: -166.442
bonds (distance) P-C4' energy: -177.782
flat angles C4'-P-C4' energy: -185.908
flat angles P-C4'-P energy: -110.448
tors. eta vs tors. theta energy: -245.206
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: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2637.452282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.452282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.452282 (E_RNA)
where:
Base-Base interactions energy: -1794.820
where: short stacking energy: -713.098
Base-Backbone interact. energy: -2.784
local terms energy: -839.848799
where:
bonds (distance) C4'-P energy: -167.058
bonds (distance) P-C4' energy: -164.422
flat angles C4'-P-C4' energy: -193.700
flat angles P-C4'-P energy: -105.127
tors. eta vs tors. theta energy: -209.542
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: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2549.029266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.029266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.029266 (E_RNA)
where:
Base-Base interactions energy: -1728.019
where: short stacking energy: -704.210
Base-Backbone interact. energy: -1.340
local terms energy: -819.671014
where:
bonds (distance) C4'-P energy: -152.876
bonds (distance) P-C4' energy: -157.160
flat angles C4'-P-C4' energy: -178.570
flat angles P-C4'-P energy: -116.243
tors. eta vs tors. theta energy: -214.823
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: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2411.605035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.605035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.605035 (E_RNA)
where:
Base-Base interactions energy: -1621.994
where: short stacking energy: -681.118
Base-Backbone interact. energy: -0.998
local terms energy: -788.613137
where:
bonds (distance) C4'-P energy: -147.851
bonds (distance) P-C4' energy: -179.316
flat angles C4'-P-C4' energy: -161.696
flat angles P-C4'-P energy: -116.136
tors. eta vs tors. theta energy: -183.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1841.520965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.520965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.520965 (E_RNA)
where:
Base-Base interactions energy: -1186.082
where: short stacking energy: -524.177
Base-Backbone interact. energy: 0.069
local terms energy: -655.508345
where:
bonds (distance) C4'-P energy: -145.519
bonds (distance) P-C4' energy: -152.510
flat angles C4'-P-C4' energy: -138.527
flat angles P-C4'-P energy: -105.124
tors. eta vs tors. theta energy: -113.829
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: 211
Temperature: 1.250000
Total energy: -1583.114370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.114370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.114370 (E_RNA)
where:
Base-Base interactions energy: -959.393
where: short stacking energy: -440.003
Base-Backbone interact. energy: 6.182
local terms energy: -629.903645
where:
bonds (distance) C4'-P energy: -162.667
bonds (distance) P-C4' energy: -155.604
flat angles C4'-P-C4' energy: -147.451
flat angles P-C4'-P energy: -95.896
tors. eta vs tors. theta energy: -68.286
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: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1059.149512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.149512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.149512 (E_RNA)
where:
Base-Base interactions energy: -559.075
where: short stacking energy: -295.964
Base-Backbone interact. energy: 5.884
local terms energy: -505.958099
where:
bonds (distance) C4'-P energy: -148.870
bonds (distance) P-C4' energy: -162.152
flat angles C4'-P-C4' energy: -116.871
flat angles P-C4'-P energy: -69.053
tors. eta vs tors. theta energy: -9.013
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: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -678.260747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.260747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.260747 (E_RNA)
where:
Base-Base interactions energy: -224.764
where: short stacking energy: -143.669
Base-Backbone interact. energy: -0.763
local terms energy: -452.734062
where:
bonds (distance) C4'-P energy: -140.204
bonds (distance) P-C4' energy: -148.623
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -75.226
tors. eta vs tors. theta energy: 48.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -3059.311195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3059.311195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3059.311195 (E_RNA)
where:
Base-Base interactions energy: -2121.012
where: short stacking energy: -894.957
Base-Backbone interact. energy: -3.380
local terms energy: -934.919001
where:
bonds (distance) C4'-P energy: -170.596
bonds (distance) P-C4' energy: -180.050
flat angles C4'-P-C4' energy: -200.946
flat angles P-C4'-P energy: -112.349
tors. eta vs tors. theta energy: -270.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2968.828880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.828880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.828880 (E_RNA)
where:
Base-Base interactions energy: -2010.521
where: short stacking energy: -844.833
Base-Backbone interact. energy: -7.217
local terms energy: -951.090518
where:
bonds (distance) C4'-P energy: -168.598
bonds (distance) P-C4' energy: -180.494
flat angles C4'-P-C4' energy: -209.655
flat angles P-C4'-P energy: -140.549
tors. eta vs tors. theta energy: -251.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2819.417270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.417270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.417270 (E_RNA)
where:
Base-Base interactions energy: -1939.419
where: short stacking energy: -837.485
Base-Backbone interact. energy: -2.656
local terms energy: -877.342416
where:
bonds (distance) C4'-P energy: -151.049
bonds (distance) P-C4' energy: -159.363
flat angles C4'-P-C4' energy: -189.688
flat angles P-C4'-P energy: -136.155
tors. eta vs tors. theta energy: -241.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2624.819757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.819757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.819757 (E_RNA)
where:
Base-Base interactions energy: -1788.877
where: short stacking energy: -754.528
Base-Backbone interact. energy: -4.021
local terms energy: -831.921593
where:
bonds (distance) C4'-P energy: -163.978
bonds (distance) P-C4' energy: -159.404
flat angles C4'-P-C4' energy: -182.654
flat angles P-C4'-P energy: -127.578
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: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2468.283444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.283444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.283444 (E_RNA)
where:
Base-Base interactions energy: -1613.400
where: short stacking energy: -708.328
Base-Backbone interact. energy: -1.622
local terms energy: -853.261426
where:
bonds (distance) C4'-P energy: -169.927
bonds (distance) P-C4' energy: -189.510
flat angles C4'-P-C4' energy: -168.980
flat angles P-C4'-P energy: -116.844
tors. eta vs tors. theta energy: -208.001
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: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2385.502509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.502509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.502509 (E_RNA)
where:
Base-Base interactions energy: -1575.397
where: short stacking energy: -693.620
Base-Backbone interact. energy: 1.171
local terms energy: -811.276912
where:
bonds (distance) C4'-P energy: -151.398
bonds (distance) P-C4' energy: -161.930
flat angles C4'-P-C4' energy: -187.305
flat angles P-C4'-P energy: -131.227
tors. eta vs tors. theta energy: -179.416
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: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1859.919784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.919784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.919784 (E_RNA)
where:
Base-Base interactions energy: -1207.317
where: short stacking energy: -537.126
Base-Backbone interact. energy: -4.252
local terms energy: -648.350039
where:
bonds (distance) C4'-P energy: -151.171
bonds (distance) P-C4' energy: -134.963
flat angles C4'-P-C4' energy: -144.018
flat angles P-C4'-P energy: -98.212
tors. eta vs tors. theta energy: -119.986
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: 212
Temperature: 1.250000
Total energy: -1555.189658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.189658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.189658 (E_RNA)
where:
Base-Base interactions energy: -948.019
where: short stacking energy: -440.272
Base-Backbone interact. energy: -1.295
local terms energy: -605.875365
where:
bonds (distance) C4'-P energy: -149.092
bonds (distance) P-C4' energy: -133.706
flat angles C4'-P-C4' energy: -144.158
flat angles P-C4'-P energy: -106.802
tors. eta vs tors. theta energy: -72.119
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: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1030.706032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.706032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.706032 (E_RNA)
where:
Base-Base interactions energy: -511.788
where: short stacking energy: -270.716
Base-Backbone interact. energy: -3.898
local terms energy: -515.020052
where:
bonds (distance) C4'-P energy: -133.149
bonds (distance) P-C4' energy: -161.411
flat angles C4'-P-C4' energy: -123.803
flat angles P-C4'-P energy: -84.659
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -715.343404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.343404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.343404 (E_RNA)
where:
Base-Base interactions energy: -280.998
where: short stacking energy: -228.689
Base-Backbone interact. energy: 6.607
local terms energy: -440.952490
where:
bonds (distance) C4'-P energy: -129.907
bonds (distance) P-C4' energy: -143.632
flat angles C4'-P-C4' energy: -129.530
flat angles P-C4'-P energy: -73.975
tors. eta vs tors. theta energy: 36.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -3079.601822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3079.601822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3079.601822 (E_RNA)
where:
Base-Base interactions energy: -2105.233
where: short stacking energy: -908.260
Base-Backbone interact. energy: -2.512
local terms energy: -971.857310
where:
bonds (distance) C4'-P energy: -185.744
bonds (distance) P-C4' energy: -169.119
flat angles C4'-P-C4' energy: -206.968
flat angles P-C4'-P energy: -137.625
tors. eta vs tors. theta energy: -272.402
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2914.661631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.661631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.661631 (E_RNA)
where:
Base-Base interactions energy: -1988.235
where: short stacking energy: -830.435
Base-Backbone interact. energy: -2.882
local terms energy: -923.544484
where:
bonds (distance) C4'-P energy: -182.812
bonds (distance) P-C4' energy: -184.882
flat angles C4'-P-C4' energy: -184.032
flat angles P-C4'-P energy: -122.088
tors. eta vs tors. theta energy: -249.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2788.617229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.617229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.617229 (E_RNA)
where:
Base-Base interactions energy: -1912.486
where: short stacking energy: -806.946
Base-Backbone interact. energy: -2.641
local terms energy: -873.490183
where:
bonds (distance) C4'-P energy: -168.292
bonds (distance) P-C4' energy: -159.402
flat angles C4'-P-C4' energy: -183.534
flat angles P-C4'-P energy: -129.544
tors. eta vs tors. theta energy: -232.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2638.692618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.692618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.692618 (E_RNA)
where:
Base-Base interactions energy: -1779.116
where: short stacking energy: -756.521
Base-Backbone interact. energy: -5.524
local terms energy: -854.052366
where:
bonds (distance) C4'-P energy: -167.292
bonds (distance) P-C4' energy: -176.639
flat angles C4'-P-C4' energy: -189.806
flat angles P-C4'-P energy: -111.238
tors. eta vs tors. theta energy: -209.078
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: 213
Temperature: 1.100000
Total energy: -2475.964171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.964171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.964171 (E_RNA)
where:
Base-Base interactions energy: -1628.553
where: short stacking energy: -713.382
Base-Backbone interact. energy: -3.003
local terms energy: -844.408411
where:
bonds (distance) C4'-P energy: -160.772
bonds (distance) P-C4' energy: -150.784
flat angles C4'-P-C4' energy: -193.925
flat angles P-C4'-P energy: -126.997
tors. eta vs tors. theta energy: -211.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2319.228629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.228629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.228629 (E_RNA)
where:
Base-Base interactions energy: -1551.167
where: short stacking energy: -654.006
Base-Backbone interact. energy: 1.435
local terms energy: -769.496833
where:
bonds (distance) C4'-P energy: -148.176
bonds (distance) P-C4' energy: -147.314
flat angles C4'-P-C4' energy: -177.353
flat angles P-C4'-P energy: -115.115
tors. eta vs tors. theta energy: -181.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1766.559339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.559339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.559339 (E_RNA)
where:
Base-Base interactions energy: -1108.356
where: short stacking energy: -480.900
Base-Backbone interact. energy: -5.234
local terms energy: -652.969026
where:
bonds (distance) C4'-P energy: -139.376
bonds (distance) P-C4' energy: -167.087
flat angles C4'-P-C4' energy: -166.954
flat angles P-C4'-P energy: -89.172
tors. eta vs tors. theta energy: -90.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1539.582278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.582278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.582278 (E_RNA)
where:
Base-Base interactions energy: -879.648
where: short stacking energy: -431.441
Base-Backbone interact. energy: 1.138
local terms energy: -661.072845
where:
bonds (distance) C4'-P energy: -150.259
bonds (distance) P-C4' energy: -177.947
flat angles C4'-P-C4' energy: -141.751
flat angles P-C4'-P energy: -102.222
tors. eta vs tors. theta energy: -88.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1053.007653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.007653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.007653 (E_RNA)
where:
Base-Base interactions energy: -551.706
where: short stacking energy: -297.635
Base-Backbone interact. energy: -3.234
local terms energy: -498.067631
where:
bonds (distance) C4'-P energy: -142.373
bonds (distance) P-C4' energy: -162.870
flat angles C4'-P-C4' energy: -120.752
flat angles P-C4'-P energy: -70.934
tors. eta vs tors. theta energy: -1.138
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -654.470566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.470566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.470566 (E_RNA)
where:
Base-Base interactions energy: -218.599
where: short stacking energy: -185.884
Base-Backbone interact. energy: -1.731
local terms energy: -434.141074
where:
bonds (distance) C4'-P energy: -139.698
bonds (distance) P-C4' energy: -170.785
flat angles C4'-P-C4' energy: -105.917
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: 54.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -3045.978944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.978944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.978944 (E_RNA)
where:
Base-Base interactions energy: -2068.487
where: short stacking energy: -893.475
Base-Backbone interact. energy: -4.253
local terms energy: -973.238989
where:
bonds (distance) C4'-P energy: -176.064
bonds (distance) P-C4' energy: -182.045
flat angles C4'-P-C4' energy: -209.635
flat angles P-C4'-P energy: -138.972
tors. eta vs tors. theta energy: -266.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2927.575712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.575712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.575712 (E_RNA)
where:
Base-Base interactions energy: -2015.254
where: short stacking energy: -834.061
Base-Backbone interact. energy: -4.956
local terms energy: -907.365882
where:
bonds (distance) C4'-P energy: -181.071
bonds (distance) P-C4' energy: -168.148
flat angles C4'-P-C4' energy: -187.566
flat angles P-C4'-P energy: -134.889
tors. eta vs tors. theta energy: -235.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2798.139079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.139079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.139079 (E_RNA)
where:
Base-Base interactions energy: -1903.905
where: short stacking energy: -804.371
Base-Backbone interact. energy: -5.289
local terms energy: -888.945524
where:
bonds (distance) C4'-P energy: -177.600
bonds (distance) P-C4' energy: -161.457
flat angles C4'-P-C4' energy: -197.519
flat angles P-C4'-P energy: -120.841
tors. eta vs tors. theta energy: -231.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2601.557723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.557723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.557723 (E_RNA)
where:
Base-Base interactions energy: -1778.965
where: short stacking energy: -738.627
Base-Backbone interact. energy: -6.659
local terms energy: -815.934193
where:
bonds (distance) C4'-P energy: -153.384
bonds (distance) P-C4' energy: -148.373
flat angles C4'-P-C4' energy: -196.217
flat angles P-C4'-P energy: -107.999
tors. eta vs tors. theta energy: -209.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2515.449520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.449520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.449520 (E_RNA)
where:
Base-Base interactions energy: -1703.747
where: short stacking energy: -707.875
Base-Backbone interact. energy: -3.413
local terms energy: -808.288873
where:
bonds (distance) C4'-P energy: -148.177
bonds (distance) P-C4' energy: -166.095
flat angles C4'-P-C4' energy: -177.025
flat angles P-C4'-P energy: -115.053
tors. eta vs tors. theta energy: -201.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2340.516386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.516386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.516386 (E_RNA)
where:
Base-Base interactions energy: -1562.836
where: short stacking energy: -659.629
Base-Backbone interact. energy: -3.499
local terms energy: -774.180726
where:
bonds (distance) C4'-P energy: -131.050
bonds (distance) P-C4' energy: -163.864
flat angles C4'-P-C4' energy: -162.985
flat angles P-C4'-P energy: -120.724
tors. eta vs tors. theta energy: -195.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1819.551289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.551289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.551289 (E_RNA)
where:
Base-Base interactions energy: -1127.221
where: short stacking energy: -535.995
Base-Backbone interact. energy: -1.725
local terms energy: -690.605181
where:
bonds (distance) C4'-P energy: -154.886
bonds (distance) P-C4' energy: -160.719
flat angles C4'-P-C4' energy: -167.906
flat angles P-C4'-P energy: -87.816
tors. eta vs tors. theta energy: -119.278
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: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1562.977498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.977498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.977498 (E_RNA)
where:
Base-Base interactions energy: -998.855
where: short stacking energy: -444.091
Base-Backbone interact. energy: 0.885
local terms energy: -565.006820
where:
bonds (distance) C4'-P energy: -117.737
bonds (distance) P-C4' energy: -128.706
flat angles C4'-P-C4' energy: -152.359
flat angles P-C4'-P energy: -87.372
tors. eta vs tors. theta energy: -78.833
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: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1021.543219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.543219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.543219 (E_RNA)
where:
Base-Base interactions energy: -515.210
where: short stacking energy: -286.706
Base-Backbone interact. energy: 0.327
local terms energy: -506.660263
where:
bonds (distance) C4'-P energy: -157.531
bonds (distance) P-C4' energy: -146.498
flat angles C4'-P-C4' energy: -137.214
flat angles P-C4'-P energy: -80.587
tors. eta vs tors. theta energy: 15.170
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: 214
Temperature: 1.350000
Total energy: -767.284086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.284086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.284086 (E_RNA)
where:
Base-Base interactions energy: -320.154
where: short stacking energy: -199.699
Base-Backbone interact. energy: 1.169
local terms energy: -448.299105
where:
bonds (distance) C4'-P energy: -156.416
bonds (distance) P-C4' energy: -166.688
flat angles C4'-P-C4' energy: -103.698
flat angles P-C4'-P energy: -50.662
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: 215
Temperature: 0.900000
Total energy: -3047.555054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3047.555054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3047.555054 (E_RNA)
where:
Base-Base interactions energy: -2061.579
where: short stacking energy: -885.576
Base-Backbone interact. energy: -4.368
local terms energy: -981.608100
where:
bonds (distance) C4'-P energy: -178.071
bonds (distance) P-C4' energy: -179.776
flat angles C4'-P-C4' energy: -213.194
flat angles P-C4'-P energy: -132.577
tors. eta vs tors. theta energy: -277.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2903.024536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.024536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.024536 (E_RNA)
where:
Base-Base interactions energy: -1976.271
where: short stacking energy: -821.397
Base-Backbone interact. energy: -6.059
local terms energy: -920.695288
where:
bonds (distance) C4'-P energy: -172.812
bonds (distance) P-C4' energy: -170.889
flat angles C4'-P-C4' energy: -208.996
flat angles P-C4'-P energy: -131.556
tors. eta vs tors. theta energy: -236.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2802.320952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.320952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.320952 (E_RNA)
where:
Base-Base interactions energy: -1933.192
where: short stacking energy: -798.110
Base-Backbone interact. energy: -7.135
local terms energy: -861.994086
where:
bonds (distance) C4'-P energy: -152.524
bonds (distance) P-C4' energy: -163.698
flat angles C4'-P-C4' energy: -180.444
flat angles P-C4'-P energy: -135.554
tors. eta vs tors. theta energy: -229.773
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: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2605.670511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.670511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.670511 (E_RNA)
where:
Base-Base interactions energy: -1792.961
where: short stacking energy: -735.393
Base-Backbone interact. energy: 6.280
local terms energy: -818.988887
where:
bonds (distance) C4'-P energy: -149.373
bonds (distance) P-C4' energy: -170.948
flat angles C4'-P-C4' energy: -190.116
flat angles P-C4'-P energy: -111.631
tors. eta vs tors. theta energy: -196.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2465.905077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.905077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.905077 (E_RNA)
where:
Base-Base interactions energy: -1663.579
where: short stacking energy: -746.560
Base-Backbone interact. energy: -3.348
local terms energy: -798.978052
where:
bonds (distance) C4'-P energy: -151.689
bonds (distance) P-C4' energy: -165.532
flat angles C4'-P-C4' energy: -175.575
flat angles P-C4'-P energy: -94.964
tors. eta vs tors. theta energy: -211.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2347.453288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.453288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.453288 (E_RNA)
where:
Base-Base interactions energy: -1574.153
where: short stacking energy: -669.807
Base-Backbone interact. energy: 3.820
local terms energy: -777.120638
where:
bonds (distance) C4'-P energy: -152.498
bonds (distance) P-C4' energy: -145.294
flat angles C4'-P-C4' energy: -168.758
flat angles P-C4'-P energy: -115.852
tors. eta vs tors. theta energy: -194.719
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: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1805.686164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.686164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.686164 (E_RNA)
where:
Base-Base interactions energy: -1158.552
where: short stacking energy: -525.832
Base-Backbone interact. energy: -0.995
local terms energy: -646.138816
where:
bonds (distance) C4'-P energy: -129.299
bonds (distance) P-C4' energy: -151.991
flat angles C4'-P-C4' energy: -163.235
flat angles P-C4'-P energy: -91.179
tors. eta vs tors. theta energy: -110.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1574.006417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.006417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.006417 (E_RNA)
where:
Base-Base interactions energy: -1011.685
where: short stacking energy: -494.821
Base-Backbone interact. energy: 4.728
local terms energy: -567.048608
where:
bonds (distance) C4'-P energy: -140.860
bonds (distance) P-C4' energy: -154.416
flat angles C4'-P-C4' energy: -135.705
flat angles P-C4'-P energy: -64.847
tors. eta vs tors. theta energy: -71.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1109.127766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.127766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.127766 (E_RNA)
where:
Base-Base interactions energy: -617.295
where: short stacking energy: -310.482
Base-Backbone interact. energy: -0.473
local terms energy: -491.359137
where:
bonds (distance) C4'-P energy: -146.421
bonds (distance) P-C4' energy: -138.094
flat angles C4'-P-C4' energy: -134.939
flat angles P-C4'-P energy: -63.494
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -842.760463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.760463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.760463 (E_RNA)
where:
Base-Base interactions energy: -402.523
where: short stacking energy: -238.686
Base-Backbone interact. energy: 10.930
local terms energy: -451.167737
where:
bonds (distance) C4'-P energy: -152.684
bonds (distance) P-C4' energy: -150.283
flat angles C4'-P-C4' energy: -108.560
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: 32.783
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: 216
Temperature: 0.900000
Total energy: -3071.410096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3071.410096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3071.410096 (E_RNA)
where:
Base-Base interactions energy: -2102.552
where: short stacking energy: -912.959
Base-Backbone interact. energy: -6.471
local terms energy: -962.386844
where:
bonds (distance) C4'-P energy: -166.354
bonds (distance) P-C4' energy: -171.122
flat angles C4'-P-C4' energy: -206.379
flat angles P-C4'-P energy: -143.226
tors. eta vs tors. theta energy: -275.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2914.198530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.198530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.198530 (E_RNA)
where:
Base-Base interactions energy: -1994.532
where: short stacking energy: -811.373
Base-Backbone interact. energy: -3.553
local terms energy: -916.113829
where:
bonds (distance) C4'-P energy: -170.876
bonds (distance) P-C4' energy: -160.920
flat angles C4'-P-C4' energy: -197.443
flat angles P-C4'-P energy: -138.356
tors. eta vs tors. theta energy: -248.518
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: 216
Temperature: 1.000000
Total energy: -2785.637366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.637366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.637366 (E_RNA)
where:
Base-Base interactions energy: -1918.853
where: short stacking energy: -829.996
Base-Backbone interact. energy: -1.610
local terms energy: -865.174497
where:
bonds (distance) C4'-P energy: -156.363
bonds (distance) P-C4' energy: -168.682
flat angles C4'-P-C4' energy: -191.384
flat angles P-C4'-P energy: -117.041
tors. eta vs tors. theta energy: -231.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2574.544473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.544473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.544473 (E_RNA)
where:
Base-Base interactions energy: -1724.396
where: short stacking energy: -725.750
Base-Backbone interact. energy: -2.566
local terms energy: -847.583056
where:
bonds (distance) C4'-P energy: -171.151
bonds (distance) P-C4' energy: -165.849
flat angles C4'-P-C4' energy: -165.593
flat angles P-C4'-P energy: -132.039
tors. eta vs tors. theta energy: -212.951
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2515.030759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.030759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.030759 (E_RNA)
where:
Base-Base interactions energy: -1671.973
where: short stacking energy: -734.048
Base-Backbone interact. energy: 0.170
local terms energy: -843.227882
where:
bonds (distance) C4'-P energy: -183.100
bonds (distance) P-C4' energy: -157.782
flat angles C4'-P-C4' energy: -187.455
flat angles P-C4'-P energy: -110.370
tors. eta vs tors. theta energy: -204.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2270.556566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.556566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.556566 (E_RNA)
where:
Base-Base interactions energy: -1514.702
where: short stacking energy: -660.494
Base-Backbone interact. energy: 3.232
local terms energy: -759.086549
where:
bonds (distance) C4'-P energy: -147.135
bonds (distance) P-C4' energy: -154.464
flat angles C4'-P-C4' energy: -175.974
flat angles P-C4'-P energy: -104.264
tors. eta vs tors. theta energy: -177.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1828.085513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.085513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.085513 (E_RNA)
where:
Base-Base interactions energy: -1155.622
where: short stacking energy: -526.458
Base-Backbone interact. energy: -2.726
local terms energy: -669.737503
where:
bonds (distance) C4'-P energy: -134.489
bonds (distance) P-C4' energy: -156.931
flat angles C4'-P-C4' energy: -153.902
flat angles P-C4'-P energy: -92.406
tors. eta vs tors. theta energy: -132.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1467.952718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.952718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.952718 (E_RNA)
where:
Base-Base interactions energy: -877.086
where: short stacking energy: -411.815
Base-Backbone interact. energy: -1.216
local terms energy: -589.651148
where:
bonds (distance) C4'-P energy: -151.993
bonds (distance) P-C4' energy: -144.499
flat angles C4'-P-C4' energy: -141.099
flat angles P-C4'-P energy: -94.795
tors. eta vs tors. theta energy: -57.265
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: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1036.411657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.411657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.411657 (E_RNA)
where:
Base-Base interactions energy: -558.681
where: short stacking energy: -297.707
Base-Backbone interact. energy: -4.037
local terms energy: -473.694140
where:
bonds (distance) C4'-P energy: -126.494
bonds (distance) P-C4' energy: -154.667
flat angles C4'-P-C4' energy: -124.163
flat angles P-C4'-P energy: -73.771
tors. eta vs tors. theta energy: 5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -925.939105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.939105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.939105 (E_RNA)
where:
Base-Base interactions energy: -462.506
where: short stacking energy: -249.047
Base-Backbone interact. energy: -1.111
local terms energy: -462.321767
where:
bonds (distance) C4'-P energy: -140.938
bonds (distance) P-C4' energy: -161.603
flat angles C4'-P-C4' energy: -102.434
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: 17.521
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: 217
Temperature: 0.900000
Total energy: -3052.475495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.475495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.475495 (E_RNA)
where:
Base-Base interactions energy: -2073.271
where: short stacking energy: -914.454
Base-Backbone interact. energy: -0.081
local terms energy: -979.123149
where:
bonds (distance) C4'-P energy: -174.667
bonds (distance) P-C4' energy: -176.286
flat angles C4'-P-C4' energy: -205.166
flat angles P-C4'-P energy: -136.305
tors. eta vs tors. theta energy: -286.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2932.990912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.990912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.990912 (E_RNA)
where:
Base-Base interactions energy: -1985.667
where: short stacking energy: -839.797
Base-Backbone interact. energy: -5.971
local terms energy: -941.352725
where:
bonds (distance) C4'-P energy: -171.986
bonds (distance) P-C4' energy: -178.935
flat angles C4'-P-C4' energy: -200.756
flat angles P-C4'-P energy: -126.800
tors. eta vs tors. theta energy: -262.875
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: 217
Temperature: 1.000000
Total energy: -2821.967342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.967342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.967342 (E_RNA)
where:
Base-Base interactions energy: -1937.104
where: short stacking energy: -833.611
Base-Backbone interact. energy: 6.746
local terms energy: -891.608895
where:
bonds (distance) C4'-P energy: -162.681
bonds (distance) P-C4' energy: -160.331
flat angles C4'-P-C4' energy: -186.936
flat angles P-C4'-P energy: -140.350
tors. eta vs tors. theta energy: -241.310
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: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2589.441732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.441732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.441732 (E_RNA)
where:
Base-Base interactions energy: -1740.347
where: short stacking energy: -731.547
Base-Backbone interact. energy: -4.711
local terms energy: -844.383161
where:
bonds (distance) C4'-P energy: -154.305
bonds (distance) P-C4' energy: -170.647
flat angles C4'-P-C4' energy: -188.761
flat angles P-C4'-P energy: -122.587
tors. eta vs tors. theta energy: -208.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2475.530785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.530785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.530785 (E_RNA)
where:
Base-Base interactions energy: -1645.825
where: short stacking energy: -756.271
Base-Backbone interact. energy: -6.257
local terms energy: -823.447879
where:
bonds (distance) C4'-P energy: -139.849
bonds (distance) P-C4' energy: -177.789
flat angles C4'-P-C4' energy: -177.935
flat angles P-C4'-P energy: -117.301
tors. eta vs tors. theta energy: -210.574
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2255.486306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.486306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.486306 (E_RNA)
where:
Base-Base interactions energy: -1529.290
where: short stacking energy: -646.766
Base-Backbone interact. energy: 0.814
local terms energy: -727.010168
where:
bonds (distance) C4'-P energy: -158.109
bonds (distance) P-C4' energy: -155.123
flat angles C4'-P-C4' energy: -160.172
flat angles P-C4'-P energy: -79.499
tors. eta vs tors. theta energy: -174.108
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: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1910.627314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.627314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.627314 (E_RNA)
where:
Base-Base interactions energy: -1250.196
where: short stacking energy: -556.452
Base-Backbone interact. energy: 0.808
local terms energy: -661.239447
where:
bonds (distance) C4'-P energy: -128.482
bonds (distance) P-C4' energy: -162.601
flat angles C4'-P-C4' energy: -154.373
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -118.638
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: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1447.105290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.105290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.105290 (E_RNA)
where:
Base-Base interactions energy: -866.638
where: short stacking energy: -419.526
Base-Backbone interact. energy: -2.538
local terms energy: -577.928671
where:
bonds (distance) C4'-P energy: -147.996
bonds (distance) P-C4' energy: -144.050
flat angles C4'-P-C4' energy: -149.344
flat angles P-C4'-P energy: -91.381
tors. eta vs tors. theta energy: -45.157
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: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -986.913966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.913966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.913966 (E_RNA)
where:
Base-Base interactions energy: -499.756
where: short stacking energy: -254.342
Base-Backbone interact. energy: 1.763
local terms energy: -488.920904
where:
bonds (distance) C4'-P energy: -146.005
bonds (distance) P-C4' energy: -167.587
flat angles C4'-P-C4' energy: -111.138
flat angles P-C4'-P energy: -68.542
tors. eta vs tors. theta energy: 4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -854.919509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.919509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.919509 (E_RNA)
where:
Base-Base interactions energy: -398.823
where: short stacking energy: -246.945
Base-Backbone interact. energy: -4.389
local terms energy: -451.707227
where:
bonds (distance) C4'-P energy: -125.960
bonds (distance) P-C4' energy: -156.301
flat angles C4'-P-C4' energy: -124.675
flat angles P-C4'-P energy: -67.542
tors. eta vs tors. theta energy: 22.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -3044.798032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.798032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.798032 (E_RNA)
where:
Base-Base interactions energy: -2073.341
where: short stacking energy: -884.442
Base-Backbone interact. energy: -4.158
local terms energy: -967.299112
where:
bonds (distance) C4'-P energy: -175.983
bonds (distance) P-C4' energy: -184.944
flat angles C4'-P-C4' energy: -204.490
flat angles P-C4'-P energy: -141.909
tors. eta vs tors. theta energy: -259.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2925.759296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.759296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.759296 (E_RNA)
where:
Base-Base interactions energy: -1957.428
where: short stacking energy: -822.439
Base-Backbone interact. energy: -6.653
local terms energy: -961.678057
where:
bonds (distance) C4'-P energy: -192.686
bonds (distance) P-C4' energy: -171.221
flat angles C4'-P-C4' energy: -207.742
flat angles P-C4'-P energy: -135.193
tors. eta vs tors. theta energy: -254.836
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: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2816.816121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.816121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.816121 (E_RNA)
where:
Base-Base interactions energy: -1905.326
where: short stacking energy: -792.670
Base-Backbone interact. energy: -5.746
local terms energy: -905.744078
where:
bonds (distance) C4'-P energy: -174.585
bonds (distance) P-C4' energy: -174.112
flat angles C4'-P-C4' energy: -194.193
flat angles P-C4'-P energy: -115.527
tors. eta vs tors. theta energy: -247.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2570.606647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.606647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.606647 (E_RNA)
where:
Base-Base interactions energy: -1738.176
where: short stacking energy: -724.079
Base-Backbone interact. energy: 1.202
local terms energy: -833.632177
where:
bonds (distance) C4'-P energy: -166.757
bonds (distance) P-C4' energy: -171.656
flat angles C4'-P-C4' energy: -167.479
flat angles P-C4'-P energy: -114.779
tors. eta vs tors. theta energy: -212.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2463.055218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.055218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.055218 (E_RNA)
where:
Base-Base interactions energy: -1641.472
where: short stacking energy: -722.840
Base-Backbone interact. energy: -1.714
local terms energy: -819.869594
where:
bonds (distance) C4'-P energy: -149.130
bonds (distance) P-C4' energy: -153.361
flat angles C4'-P-C4' energy: -182.171
flat angles P-C4'-P energy: -118.061
tors. eta vs tors. theta energy: -217.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2372.369643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.369643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.369643 (E_RNA)
where:
Base-Base interactions energy: -1603.015
where: short stacking energy: -703.543
Base-Backbone interact. energy: -1.471
local terms energy: -767.883576
where:
bonds (distance) C4'-P energy: -140.029
bonds (distance) P-C4' energy: -144.186
flat angles C4'-P-C4' energy: -168.047
flat angles P-C4'-P energy: -121.820
tors. eta vs tors. theta energy: -193.801
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: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1916.823899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.823899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.823899 (E_RNA)
where:
Base-Base interactions energy: -1240.447
where: short stacking energy: -534.352
Base-Backbone interact. energy: -0.547
local terms energy: -675.829273
where:
bonds (distance) C4'-P energy: -137.707
bonds (distance) P-C4' energy: -155.723
flat angles C4'-P-C4' energy: -166.851
flat angles P-C4'-P energy: -107.794
tors. eta vs tors. theta energy: -107.755
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1504.567869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.567869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.567869 (E_RNA)
where:
Base-Base interactions energy: -947.766
where: short stacking energy: -441.753
Base-Backbone interact. energy: 5.837
local terms energy: -562.638751
where:
bonds (distance) C4'-P energy: -134.496
bonds (distance) P-C4' energy: -139.767
flat angles C4'-P-C4' energy: -149.976
flat angles P-C4'-P energy: -73.859
tors. eta vs tors. theta energy: -64.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1011.321752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.321752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.321752 (E_RNA)
where:
Base-Base interactions energy: -470.097
where: short stacking energy: -285.783
Base-Backbone interact. energy: 1.542
local terms energy: -542.767203
where:
bonds (distance) C4'-P energy: -142.485
bonds (distance) P-C4' energy: -156.213
flat angles C4'-P-C4' energy: -147.822
flat angles P-C4'-P energy: -84.986
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -835.918884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.918884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.918884 (E_RNA)
where:
Base-Base interactions energy: -383.150
where: short stacking energy: -219.791
Base-Backbone interact. energy: 0.284
local terms energy: -453.052293
where:
bonds (distance) C4'-P energy: -136.208
bonds (distance) P-C4' energy: -153.006
flat angles C4'-P-C4' energy: -121.669
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: 19.945
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: 219
Temperature: 0.900000
Total energy: -3016.487232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.487232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.487232 (E_RNA)
where:
Base-Base interactions energy: -2076.570
where: short stacking energy: -897.853
Base-Backbone interact. energy: -5.910
local terms energy: -934.006939
where:
bonds (distance) C4'-P energy: -154.748
bonds (distance) P-C4' energy: -197.336
flat angles C4'-P-C4' energy: -191.610
flat angles P-C4'-P energy: -120.375
tors. eta vs tors. theta energy: -269.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2946.768627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.768627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.768627 (E_RNA)
where:
Base-Base interactions energy: -2006.877
where: short stacking energy: -873.782
Base-Backbone interact. energy: -3.959
local terms energy: -935.932634
where:
bonds (distance) C4'-P energy: -177.032
bonds (distance) P-C4' energy: -172.767
flat angles C4'-P-C4' energy: -206.330
flat angles P-C4'-P energy: -138.208
tors. eta vs tors. theta energy: -241.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2852.474323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.474323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.474323 (E_RNA)
where:
Base-Base interactions energy: -1949.416
where: short stacking energy: -840.969
Base-Backbone interact. energy: -1.715
local terms energy: -901.343475
where:
bonds (distance) C4'-P energy: -160.384
bonds (distance) P-C4' energy: -171.938
flat angles C4'-P-C4' energy: -176.672
flat angles P-C4'-P energy: -139.855
tors. eta vs tors. theta energy: -252.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2540.730026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.730026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.730026 (E_RNA)
where:
Base-Base interactions energy: -1671.876
where: short stacking energy: -738.790
Base-Backbone interact. energy: -7.439
local terms energy: -861.415702
where:
bonds (distance) C4'-P energy: -161.114
bonds (distance) P-C4' energy: -182.729
flat angles C4'-P-C4' energy: -189.963
flat angles P-C4'-P energy: -116.641
tors. eta vs tors. theta energy: -210.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2518.939802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.939802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.939802 (E_RNA)
where:
Base-Base interactions energy: -1708.856
where: short stacking energy: -698.431
Base-Backbone interact. energy: -1.026
local terms energy: -809.058035
where:
bonds (distance) C4'-P energy: -160.995
bonds (distance) P-C4' energy: -167.725
flat angles C4'-P-C4' energy: -168.971
flat angles P-C4'-P energy: -113.794
tors. eta vs tors. theta energy: -197.574
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: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2294.447324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.447324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.447324 (E_RNA)
where:
Base-Base interactions energy: -1526.881
where: short stacking energy: -682.918
Base-Backbone interact. energy: -0.360
local terms energy: -767.206592
where:
bonds (distance) C4'-P energy: -132.766
bonds (distance) P-C4' energy: -157.366
flat angles C4'-P-C4' energy: -168.139
flat angles P-C4'-P energy: -114.350
tors. eta vs tors. theta energy: -194.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1905.351503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.351503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.351503 (E_RNA)
where:
Base-Base interactions energy: -1214.999
where: short stacking energy: -557.524
Base-Backbone interact. energy: -1.262
local terms energy: -689.090200
where:
bonds (distance) C4'-P energy: -157.340
bonds (distance) P-C4' energy: -143.242
flat angles C4'-P-C4' energy: -174.320
flat angles P-C4'-P energy: -94.315
tors. eta vs tors. theta energy: -119.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1479.797541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.797541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.797541 (E_RNA)
where:
Base-Base interactions energy: -856.694
where: short stacking energy: -426.072
Base-Backbone interact. energy: 1.127
local terms energy: -624.230046
where:
bonds (distance) C4'-P energy: -130.403
bonds (distance) P-C4' energy: -164.663
flat angles C4'-P-C4' energy: -158.357
flat angles P-C4'-P energy: -88.156
tors. eta vs tors. theta energy: -82.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1001.004631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.004631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.004631 (E_RNA)
where:
Base-Base interactions energy: -528.211
where: short stacking energy: -273.932
Base-Backbone interact. energy: 1.697
local terms energy: -474.491237
where:
bonds (distance) C4'-P energy: -157.744
bonds (distance) P-C4' energy: -135.198
flat angles C4'-P-C4' energy: -115.765
flat angles P-C4'-P energy: -80.885
tors. eta vs tors. theta energy: 15.101
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: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -854.038241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.038241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.038241 (E_RNA)
where:
Base-Base interactions energy: -390.333
where: short stacking energy: -226.058
Base-Backbone interact. energy: 0.863
local terms energy: -464.568006
where:
bonds (distance) C4'-P energy: -131.691
bonds (distance) P-C4' energy: -151.631
flat angles C4'-P-C4' energy: -125.244
flat angles P-C4'-P energy: -62.570
tors. eta vs tors. theta energy: 6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -3000.560751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3000.560751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3000.560751 (E_RNA)
where:
Base-Base interactions energy: -2075.427
where: short stacking energy: -891.547
Base-Backbone interact. energy: -3.962
local terms energy: -921.170971
where:
bonds (distance) C4'-P energy: -159.831
bonds (distance) P-C4' energy: -163.532
flat angles C4'-P-C4' energy: -200.764
flat angles P-C4'-P energy: -145.708
tors. eta vs tors. theta energy: -251.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2985.492306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.492306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.492306 (E_RNA)
where:
Base-Base interactions energy: -2011.385
where: short stacking energy: -850.219
Base-Backbone interact. energy: -2.470
local terms energy: -971.637462
where:
bonds (distance) C4'-P energy: -175.732
bonds (distance) P-C4' energy: -182.777
flat angles C4'-P-C4' energy: -199.420
flat angles P-C4'-P energy: -145.831
tors. eta vs tors. theta energy: -267.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2779.784085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.784085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.784085 (E_RNA)
where:
Base-Base interactions energy: -1909.394
where: short stacking energy: -821.346
Base-Backbone interact. energy: -6.867
local terms energy: -863.523393
where:
bonds (distance) C4'-P energy: -161.457
bonds (distance) P-C4' energy: -156.097
flat angles C4'-P-C4' energy: -193.728
flat angles P-C4'-P energy: -105.975
tors. eta vs tors. theta energy: -246.267
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: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2490.880077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.880077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.880077 (E_RNA)
where:
Base-Base interactions energy: -1655.482
where: short stacking energy: -725.098
Base-Backbone interact. energy: 0.557
local terms energy: -835.954730
where:
bonds (distance) C4'-P energy: -169.896
bonds (distance) P-C4' energy: -147.684
flat angles C4'-P-C4' energy: -186.716
flat angles P-C4'-P energy: -126.685
tors. eta vs tors. theta energy: -204.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2527.246601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.246601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.246601 (E_RNA)
where:
Base-Base interactions energy: -1710.503
where: short stacking energy: -739.315
Base-Backbone interact. energy: -2.466
local terms energy: -814.278292
where:
bonds (distance) C4'-P energy: -154.306
bonds (distance) P-C4' energy: -172.314
flat angles C4'-P-C4' energy: -191.034
flat angles P-C4'-P energy: -89.517
tors. eta vs tors. theta energy: -207.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2319.699496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.699496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.699496 (E_RNA)
where:
Base-Base interactions energy: -1567.190
where: short stacking energy: -677.014
Base-Backbone interact. energy: -4.499
local terms energy: -748.011079
where:
bonds (distance) C4'-P energy: -128.948
bonds (distance) P-C4' energy: -148.751
flat angles C4'-P-C4' energy: -171.744
flat angles P-C4'-P energy: -129.519
tors. eta vs tors. theta energy: -169.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1833.837262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.837262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.837262 (E_RNA)
where:
Base-Base interactions energy: -1141.130
where: short stacking energy: -506.865
Base-Backbone interact. energy: 1.976
local terms energy: -694.684127
where:
bonds (distance) C4'-P energy: -168.627
bonds (distance) P-C4' energy: -157.805
flat angles C4'-P-C4' energy: -148.753
flat angles P-C4'-P energy: -119.048
tors. eta vs tors. theta energy: -100.451
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: 220
Temperature: 1.250000
Total energy: -1470.569625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.569625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.569625 (E_RNA)
where:
Base-Base interactions energy: -914.237
where: short stacking energy: -416.145
Base-Backbone interact. energy: 1.301
local terms energy: -557.633436
where:
bonds (distance) C4'-P energy: -138.296
bonds (distance) P-C4' energy: -166.552
flat angles C4'-P-C4' energy: -154.767
flat angles P-C4'-P energy: -54.409
tors. eta vs tors. theta energy: -43.610
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: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1050.495769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.495769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.495769 (E_RNA)
where:
Base-Base interactions energy: -546.010
where: short stacking energy: -320.974
Base-Backbone interact. energy: 4.147
local terms energy: -508.633352
where:
bonds (distance) C4'-P energy: -132.457
bonds (distance) P-C4' energy: -132.781
flat angles C4'-P-C4' energy: -163.320
flat angles P-C4'-P energy: -77.548
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -810.581981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.581981 (E_RNA)
where:
Base-Base interactions energy: -366.628
where: short stacking energy: -223.153
Base-Backbone interact. energy: 2.856
local terms energy: -446.810676
where:
bonds (distance) C4'-P energy: -135.888
bonds (distance) P-C4' energy: -134.515
flat angles C4'-P-C4' energy: -128.952
flat angles P-C4'-P energy: -75.128
tors. eta vs tors. theta energy: 27.672
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: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -3004.303054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.303054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.303054 (E_RNA)
where:
Base-Base interactions energy: -2074.746
where: short stacking energy: -872.770
Base-Backbone interact. energy: -0.474
local terms energy: -929.083015
where:
bonds (distance) C4'-P energy: -178.587
bonds (distance) P-C4' energy: -163.671
flat angles C4'-P-C4' energy: -196.202
flat angles P-C4'-P energy: -131.515
tors. eta vs tors. theta energy: -259.107
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: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2996.256859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.256859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.256859 (E_RNA)
where:
Base-Base interactions energy: -2019.366
where: short stacking energy: -875.383
Base-Backbone interact. energy: -5.088
local terms energy: -971.802677
where:
bonds (distance) C4'-P energy: -179.416
bonds (distance) P-C4' energy: -175.596
flat angles C4'-P-C4' energy: -209.093
flat angles P-C4'-P energy: -137.600
tors. eta vs tors. theta energy: -270.097
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2800.088388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.088388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.088388 (E_RNA)
where:
Base-Base interactions energy: -1902.604
where: short stacking energy: -812.503
Base-Backbone interact. energy: -4.421
local terms energy: -893.063237
where:
bonds (distance) C4'-P energy: -158.252
bonds (distance) P-C4' energy: -160.052
flat angles C4'-P-C4' energy: -191.943
flat angles P-C4'-P energy: -137.343
tors. eta vs tors. theta energy: -245.473
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: 221
Temperature: 1.050000
Total energy: -2592.096621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.096621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.096621 (E_RNA)
where:
Base-Base interactions energy: -1734.511
where: short stacking energy: -769.340
Base-Backbone interact. energy: -0.037
local terms energy: -857.548832
where:
bonds (distance) C4'-P energy: -166.264
bonds (distance) P-C4' energy: -161.296
flat angles C4'-P-C4' energy: -184.167
flat angles P-C4'-P energy: -118.976
tors. eta vs tors. theta energy: -226.846
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: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2478.518694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.518694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.518694 (E_RNA)
where:
Base-Base interactions energy: -1667.422
where: short stacking energy: -708.875
Base-Backbone interact. energy: -6.373
local terms energy: -804.723219
where:
bonds (distance) C4'-P energy: -163.706
bonds (distance) P-C4' energy: -162.491
flat angles C4'-P-C4' energy: -188.488
flat angles P-C4'-P energy: -93.320
tors. eta vs tors. theta energy: -196.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2326.089716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.089716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.089716 (E_RNA)
where:
Base-Base interactions energy: -1583.420
where: short stacking energy: -696.469
Base-Backbone interact. energy: 1.994
local terms energy: -744.663674
where:
bonds (distance) C4'-P energy: -142.874
bonds (distance) P-C4' energy: -150.698
flat angles C4'-P-C4' energy: -169.257
flat angles P-C4'-P energy: -102.837
tors. eta vs tors. theta energy: -178.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1828.272791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.272791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.272791 (E_RNA)
where:
Base-Base interactions energy: -1151.597
where: short stacking energy: -521.511
Base-Backbone interact. energy: -0.572
local terms energy: -676.103638
where:
bonds (distance) C4'-P energy: -164.340
bonds (distance) P-C4' energy: -158.656
flat angles C4'-P-C4' energy: -162.804
flat angles P-C4'-P energy: -81.919
tors. eta vs tors. theta energy: -108.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1481.980375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.980375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.980375 (E_RNA)
where:
Base-Base interactions energy: -890.574
where: short stacking energy: -435.126
Base-Backbone interact. energy: 1.058
local terms energy: -592.464120
where:
bonds (distance) C4'-P energy: -149.009
bonds (distance) P-C4' energy: -152.927
flat angles C4'-P-C4' energy: -128.526
flat angles P-C4'-P energy: -110.014
tors. eta vs tors. theta energy: -51.989
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: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -994.793504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.793504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.793504 (E_RNA)
where:
Base-Base interactions energy: -504.745
where: short stacking energy: -291.402
Base-Backbone interact. energy: 1.760
local terms energy: -491.808648
where:
bonds (distance) C4'-P energy: -153.693
bonds (distance) P-C4' energy: -144.021
flat angles C4'-P-C4' energy: -127.112
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: 12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -809.267598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.267598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.267598 (E_RNA)
where:
Base-Base interactions energy: -395.937
where: short stacking energy: -246.551
Base-Backbone interact. energy: -4.700
local terms energy: -408.630687
where:
bonds (distance) C4'-P energy: -130.152
bonds (distance) P-C4' energy: -132.823
flat angles C4'-P-C4' energy: -133.791
flat angles P-C4'-P energy: -32.487
tors. eta vs tors. theta energy: 20.623
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: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2969.759384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.759384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.759384 (E_RNA)
where:
Base-Base interactions energy: -2012.883
where: short stacking energy: -821.773
Base-Backbone interact. energy: -7.334
local terms energy: -949.542473
where:
bonds (distance) C4'-P energy: -183.309
bonds (distance) P-C4' energy: -189.070
flat angles C4'-P-C4' energy: -191.394
flat angles P-C4'-P energy: -144.763
tors. eta vs tors. theta energy: -241.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -3009.362859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.362859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.362859 (E_RNA)
where:
Base-Base interactions energy: -2053.515
where: short stacking energy: -915.768
Base-Backbone interact. energy: 1.148
local terms energy: -956.995816
where:
bonds (distance) C4'-P energy: -167.915
bonds (distance) P-C4' energy: -179.312
flat angles C4'-P-C4' energy: -195.364
flat angles P-C4'-P energy: -124.676
tors. eta vs tors. theta energy: -289.729
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: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2791.123206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.123206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.123206 (E_RNA)
where:
Base-Base interactions energy: -1903.205
where: short stacking energy: -801.152
Base-Backbone interact. energy: 0.596
local terms energy: -888.514690
where:
bonds (distance) C4'-P energy: -156.309
bonds (distance) P-C4' energy: -158.075
flat angles C4'-P-C4' energy: -200.147
flat angles P-C4'-P energy: -129.213
tors. eta vs tors. theta energy: -244.771
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2565.496818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.496818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.496818 (E_RNA)
where:
Base-Base interactions energy: -1727.852
where: short stacking energy: -768.176
Base-Backbone interact. energy: -0.369
local terms energy: -837.275524
where:
bonds (distance) C4'-P energy: -166.980
bonds (distance) P-C4' energy: -168.807
flat angles C4'-P-C4' energy: -172.935
flat angles P-C4'-P energy: -117.316
tors. eta vs tors. theta energy: -211.238
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2491.906644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.906644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.906644 (E_RNA)
where:
Base-Base interactions energy: -1679.534
where: short stacking energy: -713.008
Base-Backbone interact. energy: -1.207
local terms energy: -811.165468
where:
bonds (distance) C4'-P energy: -145.711
bonds (distance) P-C4' energy: -162.794
flat angles C4'-P-C4' energy: -188.728
flat angles P-C4'-P energy: -114.639
tors. eta vs tors. theta energy: -199.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2258.650978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.650978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.650978 (E_RNA)
where:
Base-Base interactions energy: -1534.044
where: short stacking energy: -663.778
Base-Backbone interact. energy: -3.943
local terms energy: -720.663439
where:
bonds (distance) C4'-P energy: -130.840
bonds (distance) P-C4' energy: -153.701
flat angles C4'-P-C4' energy: -174.473
flat angles P-C4'-P energy: -93.784
tors. eta vs tors. theta energy: -167.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1791.256631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.256631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.256631 (E_RNA)
where:
Base-Base interactions energy: -1129.986
where: short stacking energy: -522.667
Base-Backbone interact. energy: 7.237
local terms energy: -668.508068
where:
bonds (distance) C4'-P energy: -178.892
bonds (distance) P-C4' energy: -145.654
flat angles C4'-P-C4' energy: -149.252
flat angles P-C4'-P energy: -82.220
tors. eta vs tors. theta energy: -112.490
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: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1493.202387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.202387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.202387 (E_RNA)
where:
Base-Base interactions energy: -893.216
where: short stacking energy: -425.686
Base-Backbone interact. energy: 8.739
local terms energy: -608.724980
where:
bonds (distance) C4'-P energy: -159.698
bonds (distance) P-C4' energy: -130.735
flat angles C4'-P-C4' energy: -157.696
flat angles P-C4'-P energy: -98.794
tors. eta vs tors. theta energy: -61.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1015.124490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.124490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.124490 (E_RNA)
where:
Base-Base interactions energy: -524.494
where: short stacking energy: -306.556
Base-Backbone interact. energy: 3.644
local terms energy: -494.274164
where:
bonds (distance) C4'-P energy: -117.908
bonds (distance) P-C4' energy: -157.960
flat angles C4'-P-C4' energy: -130.394
flat angles P-C4'-P energy: -76.744
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -844.379897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.379897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.379897 (E_RNA)
where:
Base-Base interactions energy: -346.919
where: short stacking energy: -217.078
Base-Backbone interact. energy: -0.800
local terms energy: -496.660351
where:
bonds (distance) C4'-P energy: -141.918
bonds (distance) P-C4' energy: -178.253
flat angles C4'-P-C4' energy: -105.897
flat angles P-C4'-P energy: -77.470
tors. eta vs tors. theta energy: 6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -3004.332978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.332978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.332978 (E_RNA)
where:
Base-Base interactions energy: -2045.391
where: short stacking energy: -865.681
Base-Backbone interact. energy: 0.221
local terms energy: -959.162440
where:
bonds (distance) C4'-P energy: -185.882
bonds (distance) P-C4' energy: -184.135
flat angles C4'-P-C4' energy: -203.522
flat angles P-C4'-P energy: -147.523
tors. eta vs tors. theta energy: -238.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -3003.149474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.149474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.149474 (E_RNA)
where:
Base-Base interactions energy: -2029.120
where: short stacking energy: -860.482
Base-Backbone interact. energy: -2.518
local terms energy: -971.511125
where:
bonds (distance) C4'-P energy: -179.513
bonds (distance) P-C4' energy: -181.952
flat angles C4'-P-C4' energy: -196.604
flat angles P-C4'-P energy: -138.436
tors. eta vs tors. theta energy: -275.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2768.076180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.076180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.076180 (E_RNA)
where:
Base-Base interactions energy: -1866.975
where: short stacking energy: -793.144
Base-Backbone interact. energy: -1.834
local terms energy: -899.267564
where:
bonds (distance) C4'-P energy: -162.360
bonds (distance) P-C4' energy: -171.705
flat angles C4'-P-C4' energy: -183.124
flat angles P-C4'-P energy: -131.232
tors. eta vs tors. theta energy: -250.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2559.912596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.912596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.912596 (E_RNA)
where:
Base-Base interactions energy: -1709.830
where: short stacking energy: -716.559
Base-Backbone interact. energy: -3.038
local terms energy: -847.045111
where:
bonds (distance) C4'-P energy: -164.644
bonds (distance) P-C4' energy: -168.186
flat angles C4'-P-C4' energy: -182.777
flat angles P-C4'-P energy: -138.080
tors. eta vs tors. theta energy: -193.358
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: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2501.497155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.497155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.497155 (E_RNA)
where:
Base-Base interactions energy: -1701.683
where: short stacking energy: -686.319
Base-Backbone interact. energy: -0.143
local terms energy: -799.671099
where:
bonds (distance) C4'-P energy: -153.804
bonds (distance) P-C4' energy: -161.457
flat angles C4'-P-C4' energy: -174.454
flat angles P-C4'-P energy: -105.502
tors. eta vs tors. theta energy: -204.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2226.658191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.658191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.658191 (E_RNA)
where:
Base-Base interactions energy: -1453.125
where: short stacking energy: -627.544
Base-Backbone interact. energy: -0.745
local terms energy: -772.787844
where:
bonds (distance) C4'-P energy: -145.457
bonds (distance) P-C4' energy: -163.270
flat angles C4'-P-C4' energy: -181.537
flat angles P-C4'-P energy: -124.166
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1741.845848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.845848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.845848 (E_RNA)
where:
Base-Base interactions energy: -1100.127
where: short stacking energy: -536.535
Base-Backbone interact. energy: 8.846
local terms energy: -650.564947
where:
bonds (distance) C4'-P energy: -119.716
bonds (distance) P-C4' energy: -154.323
flat angles C4'-P-C4' energy: -166.509
flat angles P-C4'-P energy: -105.440
tors. eta vs tors. theta energy: -104.578
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: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1508.752357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.752357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.752357 (E_RNA)
where:
Base-Base interactions energy: -939.044
where: short stacking energy: -426.407
Base-Backbone interact. energy: -0.670
local terms energy: -569.037776
where:
bonds (distance) C4'-P energy: -154.421
bonds (distance) P-C4' energy: -150.325
flat angles C4'-P-C4' energy: -136.600
flat angles P-C4'-P energy: -91.599
tors. eta vs tors. theta energy: -36.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1002.256405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.256405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.256405 (E_RNA)
where:
Base-Base interactions energy: -510.161
where: short stacking energy: -307.537
Base-Backbone interact. energy: -2.960
local terms energy: -489.134651
where:
bonds (distance) C4'-P energy: -132.169
bonds (distance) P-C4' energy: -141.354
flat angles C4'-P-C4' energy: -142.124
flat angles P-C4'-P energy: -74.261
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -830.638293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.638293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.638293 (E_RNA)
where:
Base-Base interactions energy: -383.779
where: short stacking energy: -237.922
Base-Backbone interact. energy: 0.149
local terms energy: -447.007934
where:
bonds (distance) C4'-P energy: -136.194
bonds (distance) P-C4' energy: -153.161
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -60.294
tors. eta vs tors. theta energy: 20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -3114.703866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3114.703866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3114.703866 (E_RNA)
where:
Base-Base interactions energy: -2122.744
where: short stacking energy: -919.979
Base-Backbone interact. energy: -2.485
local terms energy: -989.474869
where:
bonds (distance) C4'-P energy: -176.703
bonds (distance) P-C4' energy: -179.370
flat angles C4'-P-C4' energy: -212.852
flat angles P-C4'-P energy: -129.553
tors. eta vs tors. theta energy: -290.996
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: 224
Temperature: 0.950000
Total energy: -2922.950184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.950184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.950184 (E_RNA)
where:
Base-Base interactions energy: -2029.451
where: short stacking energy: -856.540
Base-Backbone interact. energy: -1.237
local terms energy: -892.262578
where:
bonds (distance) C4'-P energy: -172.280
bonds (distance) P-C4' energy: -153.803
flat angles C4'-P-C4' energy: -192.182
flat angles P-C4'-P energy: -127.239
tors. eta vs tors. theta energy: -246.758
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: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2755.051836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.051836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.051836 (E_RNA)
where:
Base-Base interactions energy: -1874.147
where: short stacking energy: -810.848
Base-Backbone interact. energy: -4.460
local terms energy: -876.445178
where:
bonds (distance) C4'-P energy: -148.901
bonds (distance) P-C4' energy: -172.459
flat angles C4'-P-C4' energy: -189.881
flat angles P-C4'-P energy: -127.141
tors. eta vs tors. theta energy: -238.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2608.420509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.420509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.420509 (E_RNA)
where:
Base-Base interactions energy: -1741.878
where: short stacking energy: -777.532
Base-Backbone interact. energy: -1.769
local terms energy: -864.773748
where:
bonds (distance) C4'-P energy: -152.808
bonds (distance) P-C4' energy: -180.653
flat angles C4'-P-C4' energy: -183.612
flat angles P-C4'-P energy: -120.689
tors. eta vs tors. theta energy: -227.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2528.769472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.769472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.769472 (E_RNA)
where:
Base-Base interactions energy: -1692.843
where: short stacking energy: -722.776
Base-Backbone interact. energy: 2.218
local terms energy: -838.143962
where:
bonds (distance) C4'-P energy: -169.954
bonds (distance) P-C4' energy: -174.988
flat angles C4'-P-C4' energy: -180.290
flat angles P-C4'-P energy: -112.516
tors. eta vs tors. theta energy: -200.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2263.386080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.386080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.386080 (E_RNA)
where:
Base-Base interactions energy: -1494.355
where: short stacking energy: -641.795
Base-Backbone interact. energy: -1.297
local terms energy: -767.733991
where:
bonds (distance) C4'-P energy: -159.063
bonds (distance) P-C4' energy: -169.356
flat angles C4'-P-C4' energy: -172.010
flat angles P-C4'-P energy: -110.263
tors. eta vs tors. theta energy: -157.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1717.018824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.018824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.018824 (E_RNA)
where:
Base-Base interactions energy: -1042.364
where: short stacking energy: -528.087
Base-Backbone interact. energy: -0.682
local terms energy: -673.972731
where:
bonds (distance) C4'-P energy: -131.682
bonds (distance) P-C4' energy: -160.559
flat angles C4'-P-C4' energy: -165.868
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -114.491
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: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1532.865706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.865706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.865706 (E_RNA)
where:
Base-Base interactions energy: -953.691
where: short stacking energy: -446.151
Base-Backbone interact. energy: 4.992
local terms energy: -584.167164
where:
bonds (distance) C4'-P energy: -132.761
bonds (distance) P-C4' energy: -177.686
flat angles C4'-P-C4' energy: -140.230
flat angles P-C4'-P energy: -83.656
tors. eta vs tors. theta energy: -49.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -989.174452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.174452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.174452 (E_RNA)
where:
Base-Base interactions energy: -507.390
where: short stacking energy: -283.049
Base-Backbone interact. energy: 5.689
local terms energy: -487.473535
where:
bonds (distance) C4'-P energy: -161.545
bonds (distance) P-C4' energy: -130.400
flat angles C4'-P-C4' energy: -123.799
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -2.324
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: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -803.697365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.697365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.697365 (E_RNA)
where:
Base-Base interactions energy: -361.401
where: short stacking energy: -234.619
Base-Backbone interact. energy: -0.140
local terms energy: -442.156410
where:
bonds (distance) C4'-P energy: -124.396
bonds (distance) P-C4' energy: -162.776
flat angles C4'-P-C4' energy: -123.271
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: 45.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -3105.114755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3105.114755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3105.114755 (E_RNA)
where:
Base-Base interactions energy: -2113.646
where: short stacking energy: -918.437
Base-Backbone interact. energy: -4.406
local terms energy: -987.062688
where:
bonds (distance) C4'-P energy: -180.598
bonds (distance) P-C4' energy: -171.681
flat angles C4'-P-C4' energy: -211.903
flat angles P-C4'-P energy: -135.311
tors. eta vs tors. theta energy: -287.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2905.257067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.257067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.257067 (E_RNA)
where:
Base-Base interactions energy: -2006.472
where: short stacking energy: -852.843
Base-Backbone interact. energy: -2.574
local terms energy: -896.211139
where:
bonds (distance) C4'-P energy: -166.915
bonds (distance) P-C4' energy: -175.683
flat angles C4'-P-C4' energy: -192.099
flat angles P-C4'-P energy: -116.619
tors. eta vs tors. theta energy: -244.895
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: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2752.875144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.875144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.875144 (E_RNA)
where:
Base-Base interactions energy: -1893.770
where: short stacking energy: -788.602
Base-Backbone interact. energy: 4.501
local terms energy: -863.605715
where:
bonds (distance) C4'-P energy: -136.103
bonds (distance) P-C4' energy: -181.081
flat angles C4'-P-C4' energy: -186.955
flat angles P-C4'-P energy: -118.704
tors. eta vs tors. theta energy: -240.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2626.446289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.446289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.446289 (E_RNA)
where:
Base-Base interactions energy: -1781.517
where: short stacking energy: -769.509
Base-Backbone interact. energy: -3.988
local terms energy: -840.941197
where:
bonds (distance) C4'-P energy: -156.914
bonds (distance) P-C4' energy: -161.286
flat angles C4'-P-C4' energy: -202.151
flat angles P-C4'-P energy: -102.220
tors. eta vs tors. theta energy: -218.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2501.797715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.797715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.797715 (E_RNA)
where:
Base-Base interactions energy: -1676.474
where: short stacking energy: -705.662
Base-Backbone interact. energy: 5.155
local terms energy: -830.479214
where:
bonds (distance) C4'-P energy: -165.968
bonds (distance) P-C4' energy: -170.327
flat angles C4'-P-C4' energy: -176.764
flat angles P-C4'-P energy: -118.894
tors. eta vs tors. theta energy: -198.526
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: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2221.827922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.827922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.827922 (E_RNA)
where:
Base-Base interactions energy: -1454.139
where: short stacking energy: -626.120
Base-Backbone interact. energy: -5.857
local terms energy: -761.832183
where:
bonds (distance) C4'-P energy: -152.394
bonds (distance) P-C4' energy: -167.217
flat angles C4'-P-C4' energy: -183.358
flat angles P-C4'-P energy: -100.936
tors. eta vs tors. theta energy: -157.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1769.282302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.282302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.282302 (E_RNA)
where:
Base-Base interactions energy: -1107.044
where: short stacking energy: -502.544
Base-Backbone interact. energy: -0.872
local terms energy: -661.366573
where:
bonds (distance) C4'-P energy: -139.411
bonds (distance) P-C4' energy: -155.367
flat angles C4'-P-C4' energy: -162.373
flat angles P-C4'-P energy: -106.627
tors. eta vs tors. theta energy: -97.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1527.165525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.165525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.165525 (E_RNA)
where:
Base-Base interactions energy: -928.318
where: short stacking energy: -457.431
Base-Backbone interact. energy: 1.071
local terms energy: -599.918297
where:
bonds (distance) C4'-P energy: -133.917
bonds (distance) P-C4' energy: -148.218
flat angles C4'-P-C4' energy: -149.510
flat angles P-C4'-P energy: -99.012
tors. eta vs tors. theta energy: -69.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1002.626986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.626986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.626986 (E_RNA)
where:
Base-Base interactions energy: -512.780
where: short stacking energy: -263.072
Base-Backbone interact. energy: 7.181
local terms energy: -497.027641
where:
bonds (distance) C4'-P energy: -146.029
bonds (distance) P-C4' energy: -155.010
flat angles C4'-P-C4' energy: -126.821
flat angles P-C4'-P energy: -86.385
tors. eta vs tors. theta energy: 17.217
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -821.144888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.144888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.144888 (E_RNA)
where:
Base-Base interactions energy: -385.828
where: short stacking energy: -238.684
Base-Backbone interact. energy: 7.737
local terms energy: -443.053704
where:
bonds (distance) C4'-P energy: -126.065
bonds (distance) P-C4' energy: -148.127
flat angles C4'-P-C4' energy: -119.562
flat angles P-C4'-P energy: -52.843
tors. eta vs tors. theta energy: 3.543
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: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -3092.466384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3092.466384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3092.466384 (E_RNA)
where:
Base-Base interactions energy: -2108.657
where: short stacking energy: -905.127
Base-Backbone interact. energy: -8.355
local terms energy: -975.453772
where:
bonds (distance) C4'-P energy: -166.696
bonds (distance) P-C4' energy: -184.470
flat angles C4'-P-C4' energy: -212.983
flat angles P-C4'-P energy: -129.719
tors. eta vs tors. theta energy: -281.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2877.304651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.304651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.304651 (E_RNA)
where:
Base-Base interactions energy: -1912.998
where: short stacking energy: -821.632
Base-Backbone interact. energy: -2.042
local terms energy: -962.264590
where:
bonds (distance) C4'-P energy: -165.605
bonds (distance) P-C4' energy: -188.373
flat angles C4'-P-C4' energy: -215.823
flat angles P-C4'-P energy: -139.910
tors. eta vs tors. theta energy: -252.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2738.541558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.541558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.541558 (E_RNA)
where:
Base-Base interactions energy: -1888.329
where: short stacking energy: -799.848
Base-Backbone interact. energy: -2.544
local terms energy: -847.667798
where:
bonds (distance) C4'-P energy: -159.243
bonds (distance) P-C4' energy: -159.922
flat angles C4'-P-C4' energy: -195.228
flat angles P-C4'-P energy: -108.352
tors. eta vs tors. theta energy: -224.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2677.659678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.659678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.659678 (E_RNA)
where:
Base-Base interactions energy: -1784.336
where: short stacking energy: -804.784
Base-Backbone interact. energy: -1.939
local terms energy: -891.384846
where:
bonds (distance) C4'-P energy: -166.469
bonds (distance) P-C4' energy: -177.684
flat angles C4'-P-C4' energy: -184.450
flat angles P-C4'-P energy: -115.022
tors. eta vs tors. theta energy: -247.759
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: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2546.902338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.902338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.902338 (E_RNA)
where:
Base-Base interactions energy: -1698.448
where: short stacking energy: -717.650
Base-Backbone interact. energy: -2.237
local terms energy: -846.218286
where:
bonds (distance) C4'-P energy: -162.331
bonds (distance) P-C4' energy: -152.916
flat angles C4'-P-C4' energy: -205.020
flat angles P-C4'-P energy: -119.164
tors. eta vs tors. theta energy: -206.787
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2187.531909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.531909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.531909 (E_RNA)
where:
Base-Base interactions energy: -1462.610
where: short stacking energy: -622.589
Base-Backbone interact. energy: -1.759
local terms energy: -723.162817
where:
bonds (distance) C4'-P energy: -150.635
bonds (distance) P-C4' energy: -154.588
flat angles C4'-P-C4' energy: -151.720
flat angles P-C4'-P energy: -102.608
tors. eta vs tors. theta energy: -163.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1761.833786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.833786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.833786 (E_RNA)
where:
Base-Base interactions energy: -1074.255
where: short stacking energy: -520.016
Base-Backbone interact. energy: 0.276
local terms energy: -687.854062
where:
bonds (distance) C4'-P energy: -162.593
bonds (distance) P-C4' energy: -160.466
flat angles C4'-P-C4' energy: -170.174
flat angles P-C4'-P energy: -93.104
tors. eta vs tors. theta energy: -101.517
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: 226
Temperature: 1.250000
Total energy: -1455.000432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.000432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.000432 (E_RNA)
where:
Base-Base interactions energy: -864.680
where: short stacking energy: -392.140
Base-Backbone interact. energy: -0.459
local terms energy: -589.860807
where:
bonds (distance) C4'-P energy: -144.916
bonds (distance) P-C4' energy: -154.654
flat angles C4'-P-C4' energy: -152.729
flat angles P-C4'-P energy: -88.295
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -987.388229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.388229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.388229 (E_RNA)
where:
Base-Base interactions energy: -510.174
where: short stacking energy: -260.193
Base-Backbone interact. energy: 0.560
local terms energy: -477.774291
where:
bonds (distance) C4'-P energy: -140.508
bonds (distance) P-C4' energy: -155.978
flat angles C4'-P-C4' energy: -135.222
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: 8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -841.070898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.070898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.070898 (E_RNA)
where:
Base-Base interactions energy: -396.761
where: short stacking energy: -205.644
Base-Backbone interact. energy: -1.635
local terms energy: -442.674363
where:
bonds (distance) C4'-P energy: -151.443
bonds (distance) P-C4' energy: -156.323
flat angles C4'-P-C4' energy: -99.253
flat angles P-C4'-P energy: -60.645
tors. eta vs tors. theta energy: 24.989
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: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -3086.844228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3086.844228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3086.844228 (E_RNA)
where:
Base-Base interactions energy: -2110.789
where: short stacking energy: -930.184
Base-Backbone interact. energy: -5.167
local terms energy: -970.888295
where:
bonds (distance) C4'-P energy: -177.849
bonds (distance) P-C4' energy: -171.627
flat angles C4'-P-C4' energy: -199.793
flat angles P-C4'-P energy: -132.287
tors. eta vs tors. theta energy: -289.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2866.091437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.091437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.091437 (E_RNA)
where:
Base-Base interactions energy: -1940.788
where: short stacking energy: -839.850
Base-Backbone interact. energy: -4.636
local terms energy: -920.667915
where:
bonds (distance) C4'-P energy: -169.684
bonds (distance) P-C4' energy: -170.971
flat angles C4'-P-C4' energy: -196.710
flat angles P-C4'-P energy: -141.357
tors. eta vs tors. theta energy: -241.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2710.958364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.958364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.958364 (E_RNA)
where:
Base-Base interactions energy: -1851.125
where: short stacking energy: -798.746
Base-Backbone interact. energy: 1.758
local terms energy: -861.590494
where:
bonds (distance) C4'-P energy: -149.829
bonds (distance) P-C4' energy: -167.789
flat angles C4'-P-C4' energy: -189.840
flat angles P-C4'-P energy: -124.311
tors. eta vs tors. theta energy: -229.821
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: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2670.199728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.199728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.199728 (E_RNA)
where:
Base-Base interactions energy: -1803.731
where: short stacking energy: -813.494
Base-Backbone interact. energy: -1.101
local terms energy: -865.367778
where:
bonds (distance) C4'-P energy: -165.753
bonds (distance) P-C4' energy: -174.745
flat angles C4'-P-C4' energy: -193.432
flat angles P-C4'-P energy: -106.373
tors. eta vs tors. theta energy: -225.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2563.162512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.162512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.162512 (E_RNA)
where:
Base-Base interactions energy: -1742.778
where: short stacking energy: -743.142
Base-Backbone interact. energy: -4.860
local terms energy: -815.524064
where:
bonds (distance) C4'-P energy: -163.831
bonds (distance) P-C4' energy: -147.216
flat angles C4'-P-C4' energy: -180.512
flat angles P-C4'-P energy: -111.088
tors. eta vs tors. theta energy: -212.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2177.051952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.051952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.051952 (E_RNA)
where:
Base-Base interactions energy: -1431.124
where: short stacking energy: -610.087
Base-Backbone interact. energy: -2.560
local terms energy: -743.367513
where:
bonds (distance) C4'-P energy: -152.759
bonds (distance) P-C4' energy: -168.839
flat angles C4'-P-C4' energy: -166.984
flat angles P-C4'-P energy: -102.429
tors. eta vs tors. theta energy: -152.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1795.092143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.092143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.092143 (E_RNA)
where:
Base-Base interactions energy: -1174.125
where: short stacking energy: -532.979
Base-Backbone interact. energy: 1.215
local terms energy: -622.182909
where:
bonds (distance) C4'-P energy: -155.754
bonds (distance) P-C4' energy: -146.727
flat angles C4'-P-C4' energy: -133.994
flat angles P-C4'-P energy: -87.384
tors. eta vs tors. theta energy: -98.325
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: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1537.577612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.577612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.577612 (E_RNA)
where:
Base-Base interactions energy: -890.844
where: short stacking energy: -427.528
Base-Backbone interact. energy: -5.419
local terms energy: -641.315570
where:
bonds (distance) C4'-P energy: -149.295
bonds (distance) P-C4' energy: -158.055
flat angles C4'-P-C4' energy: -157.147
flat angles P-C4'-P energy: -102.107
tors. eta vs tors. theta energy: -74.711
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1025.847115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.847115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.847115 (E_RNA)
where:
Base-Base interactions energy: -535.279
where: short stacking energy: -289.119
Base-Backbone interact. energy: -0.033
local terms energy: -490.535485
where:
bonds (distance) C4'-P energy: -148.023
bonds (distance) P-C4' energy: -149.580
flat angles C4'-P-C4' energy: -109.761
flat angles P-C4'-P energy: -73.191
tors. eta vs tors. theta energy: -9.980
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: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -856.464245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.464245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.464245 (E_RNA)
where:
Base-Base interactions energy: -407.446
where: short stacking energy: -245.846
Base-Backbone interact. energy: 7.950
local terms energy: -456.968910
where:
bonds (distance) C4'-P energy: -143.225
bonds (distance) P-C4' energy: -168.489
flat angles C4'-P-C4' energy: -96.359
flat angles P-C4'-P energy: -63.778
tors. eta vs tors. theta energy: 14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -3099.324920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3099.324920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3099.324920 (E_RNA)
where:
Base-Base interactions energy: -2100.086
where: short stacking energy: -902.079
Base-Backbone interact. energy: -6.024
local terms energy: -993.214918
where:
bonds (distance) C4'-P energy: -180.043
bonds (distance) P-C4' energy: -192.783
flat angles C4'-P-C4' energy: -196.908
flat angles P-C4'-P energy: -146.611
tors. eta vs tors. theta energy: -276.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2905.786440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.786440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.786440 (E_RNA)
where:
Base-Base interactions energy: -1981.240
where: short stacking energy: -836.637
Base-Backbone interact. energy: -2.529
local terms energy: -922.017754
where:
bonds (distance) C4'-P energy: -167.905
bonds (distance) P-C4' energy: -167.338
flat angles C4'-P-C4' energy: -205.571
flat angles P-C4'-P energy: -121.505
tors. eta vs tors. theta energy: -259.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2702.026900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.026900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.026900 (E_RNA)
where:
Base-Base interactions energy: -1816.632
where: short stacking energy: -779.437
Base-Backbone interact. energy: -3.894
local terms energy: -881.501656
where:
bonds (distance) C4'-P energy: -161.384
bonds (distance) P-C4' energy: -171.380
flat angles C4'-P-C4' energy: -192.012
flat angles P-C4'-P energy: -128.101
tors. eta vs tors. theta energy: -228.625
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2613.021997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.021997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.021997 (E_RNA)
where:
Base-Base interactions energy: -1732.380
where: short stacking energy: -764.155
Base-Backbone interact. energy: -3.276
local terms energy: -877.366297
where:
bonds (distance) C4'-P energy: -169.265
bonds (distance) P-C4' energy: -178.571
flat angles C4'-P-C4' energy: -185.731
flat angles P-C4'-P energy: -129.856
tors. eta vs tors. theta energy: -213.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2552.768162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.768162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.768162 (E_RNA)
where:
Base-Base interactions energy: -1728.437
where: short stacking energy: -696.569
Base-Backbone interact. energy: -0.751
local terms energy: -823.581025
where:
bonds (distance) C4'-P energy: -157.292
bonds (distance) P-C4' energy: -164.918
flat angles C4'-P-C4' energy: -176.319
flat angles P-C4'-P energy: -113.981
tors. eta vs tors. theta energy: -211.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2160.645839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.645839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.645839 (E_RNA)
where:
Base-Base interactions energy: -1420.632
where: short stacking energy: -616.053
Base-Backbone interact. energy: 0.427
local terms energy: -740.441297
where:
bonds (distance) C4'-P energy: -148.003
bonds (distance) P-C4' energy: -166.299
flat angles C4'-P-C4' energy: -160.328
flat angles P-C4'-P energy: -116.784
tors. eta vs tors. theta energy: -149.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1749.410406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.410406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.410406 (E_RNA)
where:
Base-Base interactions energy: -1106.558
where: short stacking energy: -512.792
Base-Backbone interact. energy: -4.528
local terms energy: -638.324026
where:
bonds (distance) C4'-P energy: -142.866
bonds (distance) P-C4' energy: -161.276
flat angles C4'-P-C4' energy: -159.192
flat angles P-C4'-P energy: -95.943
tors. eta vs tors. theta energy: -79.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1565.285954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.285954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.285954 (E_RNA)
where:
Base-Base interactions energy: -965.355
where: short stacking energy: -447.252
Base-Backbone interact. energy: 2.906
local terms energy: -602.837424
where:
bonds (distance) C4'-P energy: -145.203
bonds (distance) P-C4' energy: -139.725
flat angles C4'-P-C4' energy: -165.732
flat angles P-C4'-P energy: -85.868
tors. eta vs tors. theta energy: -66.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1080.770523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.770523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.770523 (E_RNA)
where:
Base-Base interactions energy: -561.043
where: short stacking energy: -306.930
Base-Backbone interact. energy: 5.391
local terms energy: -525.117951
where:
bonds (distance) C4'-P energy: -134.359
bonds (distance) P-C4' energy: -148.890
flat angles C4'-P-C4' energy: -146.660
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -857.081938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.081938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.081938 (E_RNA)
where:
Base-Base interactions energy: -387.209
where: short stacking energy: -236.479
Base-Backbone interact. energy: -0.802
local terms energy: -469.071585
where:
bonds (distance) C4'-P energy: -149.611
bonds (distance) P-C4' energy: -159.056
flat angles C4'-P-C4' energy: -103.826
flat angles P-C4'-P energy: -63.614
tors. eta vs tors. theta energy: 7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -3055.281549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3055.281549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3055.281549 (E_RNA)
where:
Base-Base interactions energy: -2056.903
where: short stacking energy: -907.666
Base-Backbone interact. energy: -6.849
local terms energy: -991.530150
where:
bonds (distance) C4'-P energy: -185.882
bonds (distance) P-C4' energy: -182.194
flat angles C4'-P-C4' energy: -212.481
flat angles P-C4'-P energy: -141.477
tors. eta vs tors. theta energy: -269.497
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: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2943.303413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.303413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.303413 (E_RNA)
where:
Base-Base interactions energy: -2036.489
where: short stacking energy: -854.800
Base-Backbone interact. energy: -1.668
local terms energy: -905.145894
where:
bonds (distance) C4'-P energy: -161.448
bonds (distance) P-C4' energy: -164.137
flat angles C4'-P-C4' energy: -198.937
flat angles P-C4'-P energy: -133.994
tors. eta vs tors. theta energy: -246.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2795.443011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.443011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.443011 (E_RNA)
where:
Base-Base interactions energy: -1908.652
where: short stacking energy: -834.024
Base-Backbone interact. energy: -3.094
local terms energy: -883.696555
where:
bonds (distance) C4'-P energy: -145.407
bonds (distance) P-C4' energy: -156.799
flat angles C4'-P-C4' energy: -197.818
flat angles P-C4'-P energy: -136.128
tors. eta vs tors. theta energy: -247.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2595.726749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.726749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.726749 (E_RNA)
where:
Base-Base interactions energy: -1742.290
where: short stacking energy: -759.474
Base-Backbone interact. energy: -1.529
local terms energy: -851.908333
where:
bonds (distance) C4'-P energy: -172.967
bonds (distance) P-C4' energy: -167.482
flat angles C4'-P-C4' energy: -186.796
flat angles P-C4'-P energy: -102.492
tors. eta vs tors. theta energy: -222.172
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: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2509.834181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.834181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.834181 (E_RNA)
where:
Base-Base interactions energy: -1736.767
where: short stacking energy: -698.889
Base-Backbone interact. energy: 0.835
local terms energy: -773.902152
where:
bonds (distance) C4'-P energy: -161.131
bonds (distance) P-C4' energy: -167.133
flat angles C4'-P-C4' energy: -161.173
flat angles P-C4'-P energy: -107.579
tors. eta vs tors. theta energy: -176.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2179.096657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.096657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.096657 (E_RNA)
where:
Base-Base interactions energy: -1420.589
where: short stacking energy: -638.218
Base-Backbone interact. energy: 2.059
local terms energy: -760.566987
where:
bonds (distance) C4'-P energy: -159.250
bonds (distance) P-C4' energy: -149.973
flat angles C4'-P-C4' energy: -171.910
flat angles P-C4'-P energy: -110.735
tors. eta vs tors. theta energy: -168.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1767.733928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.733928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.733928 (E_RNA)
where:
Base-Base interactions energy: -1136.939
where: short stacking energy: -507.392
Base-Backbone interact. energy: -1.233
local terms energy: -629.561053
where:
bonds (distance) C4'-P energy: -149.196
bonds (distance) P-C4' energy: -162.222
flat angles C4'-P-C4' energy: -151.060
flat angles P-C4'-P energy: -89.072
tors. eta vs tors. theta energy: -78.011
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: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1654.940699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.940699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.940699 (E_RNA)
where:
Base-Base interactions energy: -1067.985
where: short stacking energy: -485.512
Base-Backbone interact. energy: -0.842
local terms energy: -586.113739
where:
bonds (distance) C4'-P energy: -144.658
bonds (distance) P-C4' energy: -129.440
flat angles C4'-P-C4' energy: -158.770
flat angles P-C4'-P energy: -81.936
tors. eta vs tors. theta energy: -71.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1043.831390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.831390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.831390 (E_RNA)
where:
Base-Base interactions energy: -547.846
where: short stacking energy: -294.277
Base-Backbone interact. energy: -0.473
local terms energy: -495.512038
where:
bonds (distance) C4'-P energy: -130.745
bonds (distance) P-C4' energy: -153.685
flat angles C4'-P-C4' energy: -136.773
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -939.471756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.471756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.471756 (E_RNA)
where:
Base-Base interactions energy: -430.552
where: short stacking energy: -209.899
Base-Backbone interact. energy: 3.581
local terms energy: -512.501314
where:
bonds (distance) C4'-P energy: -124.740
bonds (distance) P-C4' energy: -163.284
flat angles C4'-P-C4' energy: -146.408
flat angles P-C4'-P energy: -73.609
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -3064.283111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3064.283111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3064.283111 (E_RNA)
where:
Base-Base interactions energy: -2063.292
where: short stacking energy: -914.627
Base-Backbone interact. energy: -4.527
local terms energy: -996.464867
where:
bonds (distance) C4'-P energy: -191.484
bonds (distance) P-C4' energy: -185.040
flat angles C4'-P-C4' energy: -196.310
flat angles P-C4'-P energy: -135.823
tors. eta vs tors. theta energy: -287.807
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: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2905.704122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.704122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.704122 (E_RNA)
where:
Base-Base interactions energy: -1981.907
where: short stacking energy: -817.562
Base-Backbone interact. energy: -5.517
local terms energy: -918.280580
where:
bonds (distance) C4'-P energy: -179.916
bonds (distance) P-C4' energy: -168.683
flat angles C4'-P-C4' energy: -200.568
flat angles P-C4'-P energy: -130.295
tors. eta vs tors. theta energy: -238.818
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2770.870924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.870924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.870924 (E_RNA)
where:
Base-Base interactions energy: -1877.659
where: short stacking energy: -808.124
Base-Backbone interact. energy: -2.723
local terms energy: -890.488310
where:
bonds (distance) C4'-P energy: -158.319
bonds (distance) P-C4' energy: -171.992
flat angles C4'-P-C4' energy: -190.771
flat angles P-C4'-P energy: -126.561
tors. eta vs tors. theta energy: -242.845
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: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2554.759980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.759980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.759980 (E_RNA)
where:
Base-Base interactions energy: -1698.880
where: short stacking energy: -733.672
Base-Backbone interact. energy: 1.135
local terms energy: -857.014632
where:
bonds (distance) C4'-P energy: -164.321
bonds (distance) P-C4' energy: -176.274
flat angles C4'-P-C4' energy: -190.588
flat angles P-C4'-P energy: -115.462
tors. eta vs tors. theta energy: -210.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2524.273209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.273209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.273209 (E_RNA)
where:
Base-Base interactions energy: -1721.970
where: short stacking energy: -679.946
Base-Backbone interact. energy: 1.077
local terms energy: -803.380415
where:
bonds (distance) C4'-P energy: -152.699
bonds (distance) P-C4' energy: -158.435
flat angles C4'-P-C4' energy: -171.077
flat angles P-C4'-P energy: -117.753
tors. eta vs tors. theta energy: -203.417
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: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2181.645317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.645317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.645317 (E_RNA)
where:
Base-Base interactions energy: -1420.186
where: short stacking energy: -582.290
Base-Backbone interact. energy: -4.658
local terms energy: -756.801696
where:
bonds (distance) C4'-P energy: -153.987
bonds (distance) P-C4' energy: -154.346
flat angles C4'-P-C4' energy: -166.506
flat angles P-C4'-P energy: -118.098
tors. eta vs tors. theta energy: -163.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1776.043593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.043593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.043593 (E_RNA)
where:
Base-Base interactions energy: -1120.742
where: short stacking energy: -526.346
Base-Backbone interact. energy: -2.281
local terms energy: -653.020773
where:
bonds (distance) C4'-P energy: -163.349
bonds (distance) P-C4' energy: -143.289
flat angles C4'-P-C4' energy: -171.028
flat angles P-C4'-P energy: -85.571
tors. eta vs tors. theta energy: -89.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1663.043826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.043826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.043826 (E_RNA)
where:
Base-Base interactions energy: -1046.109
where: short stacking energy: -461.614
Base-Backbone interact. energy: -0.812
local terms energy: -616.122589
where:
bonds (distance) C4'-P energy: -118.699
bonds (distance) P-C4' energy: -154.772
flat angles C4'-P-C4' energy: -152.409
flat angles P-C4'-P energy: -91.179
tors. eta vs tors. theta energy: -99.063
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: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1009.769689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.769689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.769689 (E_RNA)
where:
Base-Base interactions energy: -496.916
where: short stacking energy: -298.877
Base-Backbone interact. energy: -3.918
local terms energy: -508.935560
where:
bonds (distance) C4'-P energy: -139.711
bonds (distance) P-C4' energy: -156.727
flat angles C4'-P-C4' energy: -119.113
flat angles P-C4'-P energy: -82.634
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -863.863054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.863054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.863054 (E_RNA)
where:
Base-Base interactions energy: -415.723
where: short stacking energy: -250.717
Base-Backbone interact. energy: -1.780
local terms energy: -446.359440
where:
bonds (distance) C4'-P energy: -127.178
bonds (distance) P-C4' energy: -152.743
flat angles C4'-P-C4' energy: -125.167
flat angles P-C4'-P energy: -63.292
tors. eta vs tors. theta energy: 22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -3080.345088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3080.345088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3080.345088 (E_RNA)
where:
Base-Base interactions energy: -2097.349
where: short stacking energy: -890.992
Base-Backbone interact. energy: -5.050
local terms energy: -977.946491
where:
bonds (distance) C4'-P energy: -176.734
bonds (distance) P-C4' energy: -185.508
flat angles C4'-P-C4' energy: -199.533
flat angles P-C4'-P energy: -138.107
tors. eta vs tors. theta energy: -278.065
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: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2911.561625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.561625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.561625 (E_RNA)
where:
Base-Base interactions energy: -1961.925
where: short stacking energy: -817.091
Base-Backbone interact. energy: -2.411
local terms energy: -947.225283
where:
bonds (distance) C4'-P energy: -177.841
bonds (distance) P-C4' energy: -177.450
flat angles C4'-P-C4' energy: -197.590
flat angles P-C4'-P energy: -145.626
tors. eta vs tors. theta energy: -248.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2781.285455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.285455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.285455 (E_RNA)
where:
Base-Base interactions energy: -1898.051
where: short stacking energy: -830.744
Base-Backbone interact. energy: 4.464
local terms energy: -887.698441
where:
bonds (distance) C4'-P energy: -148.787
bonds (distance) P-C4' energy: -178.745
flat angles C4'-P-C4' energy: -191.402
flat angles P-C4'-P energy: -110.764
tors. eta vs tors. theta energy: -258.000
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: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2621.154399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.154399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.154399 (E_RNA)
where:
Base-Base interactions energy: -1791.147
where: short stacking energy: -739.377
Base-Backbone interact. energy: 0.988
local terms energy: -830.995285
where:
bonds (distance) C4'-P energy: -154.785
bonds (distance) P-C4' energy: -143.712
flat angles C4'-P-C4' energy: -173.548
flat angles P-C4'-P energy: -130.938
tors. eta vs tors. theta energy: -228.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2495.008025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.008025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.008025 (E_RNA)
where:
Base-Base interactions energy: -1671.874
where: short stacking energy: -721.752
Base-Backbone interact. energy: 3.007
local terms energy: -826.140788
where:
bonds (distance) C4'-P energy: -151.628
bonds (distance) P-C4' energy: -149.528
flat angles C4'-P-C4' energy: -197.404
flat angles P-C4'-P energy: -117.946
tors. eta vs tors. theta energy: -209.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2157.812858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.812858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.812858 (E_RNA)
where:
Base-Base interactions energy: -1419.029
where: short stacking energy: -641.466
Base-Backbone interact. energy: -1.760
local terms energy: -737.023793
where:
bonds (distance) C4'-P energy: -161.266
bonds (distance) P-C4' energy: -148.891
flat angles C4'-P-C4' energy: -151.245
flat angles P-C4'-P energy: -118.286
tors. eta vs tors. theta energy: -157.335
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: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1832.808767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.808767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.808767 (E_RNA)
where:
Base-Base interactions energy: -1167.354
where: short stacking energy: -508.189
Base-Backbone interact. energy: -2.709
local terms energy: -662.745799
where:
bonds (distance) C4'-P energy: -156.938
bonds (distance) P-C4' energy: -143.896
flat angles C4'-P-C4' energy: -164.226
flat angles P-C4'-P energy: -99.605
tors. eta vs tors. theta energy: -98.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1602.851400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.851400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.851400 (E_RNA)
where:
Base-Base interactions energy: -962.888
where: short stacking energy: -452.037
Base-Backbone interact. energy: 4.144
local terms energy: -644.107740
where:
bonds (distance) C4'-P energy: -148.295
bonds (distance) P-C4' energy: -161.211
flat angles C4'-P-C4' energy: -155.102
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -71.620
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: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1037.042018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.042018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.042018 (E_RNA)
where:
Base-Base interactions energy: -522.339
where: short stacking energy: -299.294
Base-Backbone interact. energy: -3.713
local terms energy: -510.990241
where:
bonds (distance) C4'-P energy: -137.537
bonds (distance) P-C4' energy: -133.160
flat angles C4'-P-C4' energy: -136.423
flat angles P-C4'-P energy: -97.316
tors. eta vs tors. theta energy: -6.554
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: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -946.412860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.412860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.412860 (E_RNA)
where:
Base-Base interactions energy: -494.527
where: short stacking energy: -265.951
Base-Backbone interact. energy: -0.484
local terms energy: -451.402037
where:
bonds (distance) C4'-P energy: -145.579
bonds (distance) P-C4' energy: -143.897
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -58.180
tors. eta vs tors. theta energy: 1.989
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: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -3056.381044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.381044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.381044 (E_RNA)
where:
Base-Base interactions energy: -2063.627
where: short stacking energy: -878.992
Base-Backbone interact. energy: -1.786
local terms energy: -990.967841
where:
bonds (distance) C4'-P energy: -180.588
bonds (distance) P-C4' energy: -187.903
flat angles C4'-P-C4' energy: -204.753
flat angles P-C4'-P energy: -137.205
tors. eta vs tors. theta energy: -280.519
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2875.064152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.064152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.064152 (E_RNA)
where:
Base-Base interactions energy: -1958.590
where: short stacking energy: -849.502
Base-Backbone interact. energy: -3.854
local terms energy: -912.620783
where:
bonds (distance) C4'-P energy: -170.999
bonds (distance) P-C4' energy: -172.463
flat angles C4'-P-C4' energy: -196.057
flat angles P-C4'-P energy: -119.738
tors. eta vs tors. theta energy: -253.364
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: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2794.294828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.294828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.294828 (E_RNA)
where:
Base-Base interactions energy: -1902.538
where: short stacking energy: -815.363
Base-Backbone interact. energy: -3.033
local terms energy: -888.723175
where:
bonds (distance) C4'-P energy: -162.401
bonds (distance) P-C4' energy: -172.549
flat angles C4'-P-C4' energy: -191.348
flat angles P-C4'-P energy: -133.398
tors. eta vs tors. theta energy: -229.027
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: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2618.396802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.396802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.396802 (E_RNA)
where:
Base-Base interactions energy: -1792.919
where: short stacking energy: -719.009
Base-Backbone interact. energy: -3.213
local terms energy: -822.264494
where:
bonds (distance) C4'-P energy: -132.667
bonds (distance) P-C4' energy: -174.367
flat angles C4'-P-C4' energy: -182.425
flat angles P-C4'-P energy: -114.611
tors. eta vs tors. theta energy: -218.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2459.379118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.379118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.379118 (E_RNA)
where:
Base-Base interactions energy: -1623.448
where: short stacking energy: -695.816
Base-Backbone interact. energy: -3.588
local terms energy: -832.343240
where:
bonds (distance) C4'-P energy: -162.516
bonds (distance) P-C4' energy: -161.228
flat angles C4'-P-C4' energy: -204.967
flat angles P-C4'-P energy: -109.381
tors. eta vs tors. theta energy: -194.252
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2161.936462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.936462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.936462 (E_RNA)
where:
Base-Base interactions energy: -1393.853
where: short stacking energy: -633.800
Base-Backbone interact. energy: -3.705
local terms energy: -764.377898
where:
bonds (distance) C4'-P energy: -176.397
bonds (distance) P-C4' energy: -138.105
flat angles C4'-P-C4' energy: -178.288
flat angles P-C4'-P energy: -112.318
tors. eta vs tors. theta energy: -159.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1832.467064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.467064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.467064 (E_RNA)
where:
Base-Base interactions energy: -1161.696
where: short stacking energy: -527.282
Base-Backbone interact. energy: 4.825
local terms energy: -675.595547
where:
bonds (distance) C4'-P energy: -150.814
bonds (distance) P-C4' energy: -166.653
flat angles C4'-P-C4' energy: -162.493
flat angles P-C4'-P energy: -90.725
tors. eta vs tors. theta energy: -104.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1651.435036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.435036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.435036 (E_RNA)
where:
Base-Base interactions energy: -1050.964
where: short stacking energy: -479.386
Base-Backbone interact. energy: 1.768
local terms energy: -602.239579
where:
bonds (distance) C4'-P energy: -135.436
bonds (distance) P-C4' energy: -148.239
flat angles C4'-P-C4' energy: -149.554
flat angles P-C4'-P energy: -85.206
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: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -992.377105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.377105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.377105 (E_RNA)
where:
Base-Base interactions energy: -502.314
where: short stacking energy: -291.771
Base-Backbone interact. energy: 1.053
local terms energy: -491.116065
where:
bonds (distance) C4'-P energy: -143.186
bonds (distance) P-C4' energy: -147.666
flat angles C4'-P-C4' energy: -142.981
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: 3.983
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -952.133085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.133085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.133085 (E_RNA)
where:
Base-Base interactions energy: -432.166
where: short stacking energy: -222.457
Base-Backbone interact. energy: 4.478
local terms energy: -524.445826
where:
bonds (distance) C4'-P energy: -150.628
bonds (distance) P-C4' energy: -142.151
flat angles C4'-P-C4' energy: -160.758
flat angles P-C4'-P energy: -75.315
tors. eta vs tors. theta energy: 4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -3052.090607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.090607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.090607 (E_RNA)
where:
Base-Base interactions energy: -2099.098
where: short stacking energy: -893.068
Base-Backbone interact. energy: -3.141
local terms energy: -949.851305
where:
bonds (distance) C4'-P energy: -175.302
bonds (distance) P-C4' energy: -175.129
flat angles C4'-P-C4' energy: -211.538
flat angles P-C4'-P energy: -121.561
tors. eta vs tors. theta energy: -266.320
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: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2849.297486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.297486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.297486 (E_RNA)
where:
Base-Base interactions energy: -1941.070
where: short stacking energy: -849.308
Base-Backbone interact. energy: -6.701
local terms energy: -901.527123
where:
bonds (distance) C4'-P energy: -159.705
bonds (distance) P-C4' energy: -184.101
flat angles C4'-P-C4' energy: -194.519
flat angles P-C4'-P energy: -133.510
tors. eta vs tors. theta energy: -229.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2797.878047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.878047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.878047 (E_RNA)
where:
Base-Base interactions energy: -1893.555
where: short stacking energy: -854.115
Base-Backbone interact. energy: -4.832
local terms energy: -899.490778
where:
bonds (distance) C4'-P energy: -163.924
bonds (distance) P-C4' energy: -151.272
flat angles C4'-P-C4' energy: -189.436
flat angles P-C4'-P energy: -144.361
tors. eta vs tors. theta energy: -250.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2609.195263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.195263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.195263 (E_RNA)
where:
Base-Base interactions energy: -1781.641
where: short stacking energy: -761.690
Base-Backbone interact. energy: 2.017
local terms energy: -829.570726
where:
bonds (distance) C4'-P energy: -155.349
bonds (distance) P-C4' energy: -165.272
flat angles C4'-P-C4' energy: -170.771
flat angles P-C4'-P energy: -124.075
tors. eta vs tors. theta energy: -214.105
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: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2457.255083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.255083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.255083 (E_RNA)
where:
Base-Base interactions energy: -1655.930
where: short stacking energy: -713.562
Base-Backbone interact. energy: -3.430
local terms energy: -797.895291
where:
bonds (distance) C4'-P energy: -156.918
bonds (distance) P-C4' energy: -151.018
flat angles C4'-P-C4' energy: -188.597
flat angles P-C4'-P energy: -102.167
tors. eta vs tors. theta energy: -199.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2149.345962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.345962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.345962 (E_RNA)
where:
Base-Base interactions energy: -1406.814
where: short stacking energy: -627.289
Base-Backbone interact. energy: -2.123
local terms energy: -740.408100
where:
bonds (distance) C4'-P energy: -139.840
bonds (distance) P-C4' energy: -147.459
flat angles C4'-P-C4' energy: -180.630
flat angles P-C4'-P energy: -108.417
tors. eta vs tors. theta energy: -164.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1724.050821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.050821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.050821 (E_RNA)
where:
Base-Base interactions energy: -1065.685
where: short stacking energy: -498.346
Base-Backbone interact. energy: -6.273
local terms energy: -652.092976
where:
bonds (distance) C4'-P energy: -140.596
bonds (distance) P-C4' energy: -147.665
flat angles C4'-P-C4' energy: -166.616
flat angles P-C4'-P energy: -112.680
tors. eta vs tors. theta energy: -84.537
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: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1754.538912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.538912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.538912 (E_RNA)
where:
Base-Base interactions energy: -1117.344
where: short stacking energy: -514.591
Base-Backbone interact. energy: 0.831
local terms energy: -638.025792
where:
bonds (distance) C4'-P energy: -142.586
bonds (distance) P-C4' energy: -160.129
flat angles C4'-P-C4' energy: -144.955
flat angles P-C4'-P energy: -88.145
tors. eta vs tors. theta energy: -102.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1065.340522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.340522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.340522 (E_RNA)
where:
Base-Base interactions energy: -535.205
where: short stacking energy: -307.648
Base-Backbone interact. energy: -1.147
local terms energy: -528.988852
where:
bonds (distance) C4'-P energy: -144.395
bonds (distance) P-C4' energy: -149.297
flat angles C4'-P-C4' energy: -142.681
flat angles P-C4'-P energy: -85.270
tors. eta vs tors. theta energy: -7.346
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: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -970.765824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.765824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.765824 (E_RNA)
where:
Base-Base interactions energy: -456.123
where: short stacking energy: -273.951
Base-Backbone interact. energy: 7.768
local terms energy: -522.411577
where:
bonds (distance) C4'-P energy: -157.077
bonds (distance) P-C4' energy: -155.370
flat angles C4'-P-C4' energy: -139.559
flat angles P-C4'-P energy: -72.724
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -3024.501355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.501355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.501355 (E_RNA)
where:
Base-Base interactions energy: -2050.542
where: short stacking energy: -873.713
Base-Backbone interact. energy: -6.830
local terms energy: -967.129440
where:
bonds (distance) C4'-P energy: -178.995
bonds (distance) P-C4' energy: -189.088
flat angles C4'-P-C4' energy: -213.791
flat angles P-C4'-P energy: -122.339
tors. eta vs tors. theta energy: -262.917
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: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2872.952750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.952750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.952750 (E_RNA)
where:
Base-Base interactions energy: -1938.661
where: short stacking energy: -810.883
Base-Backbone interact. energy: -3.533
local terms energy: -930.758368
where:
bonds (distance) C4'-P energy: -179.205
bonds (distance) P-C4' energy: -175.541
flat angles C4'-P-C4' energy: -200.095
flat angles P-C4'-P energy: -137.095
tors. eta vs tors. theta energy: -238.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2754.000145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.000145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.000145 (E_RNA)
where:
Base-Base interactions energy: -1854.499
where: short stacking energy: -787.161
Base-Backbone interact. energy: -1.767
local terms energy: -897.733374
where:
bonds (distance) C4'-P energy: -165.654
bonds (distance) P-C4' energy: -184.478
flat angles C4'-P-C4' energy: -196.627
flat angles P-C4'-P energy: -127.004
tors. eta vs tors. theta energy: -223.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2547.503810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.503810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.503810 (E_RNA)
where:
Base-Base interactions energy: -1673.943
where: short stacking energy: -715.828
Base-Backbone interact. energy: -4.424
local terms energy: -869.137142
where:
bonds (distance) C4'-P energy: -175.259
bonds (distance) P-C4' energy: -179.078
flat angles C4'-P-C4' energy: -196.959
flat angles P-C4'-P energy: -114.690
tors. eta vs tors. theta energy: -203.151
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: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2458.439312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.439312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.439312 (E_RNA)
where:
Base-Base interactions energy: -1630.359
where: short stacking energy: -707.579
Base-Backbone interact. energy: -1.605
local terms energy: -826.474864
where:
bonds (distance) C4'-P energy: -151.743
bonds (distance) P-C4' energy: -171.248
flat angles C4'-P-C4' energy: -181.011
flat angles P-C4'-P energy: -114.157
tors. eta vs tors. theta energy: -208.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2233.967814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.967814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.967814 (E_RNA)
where:
Base-Base interactions energy: -1465.755
where: short stacking energy: -607.611
Base-Backbone interact. energy: -3.714
local terms energy: -764.498518
where:
bonds (distance) C4'-P energy: -126.215
bonds (distance) P-C4' energy: -158.436
flat angles C4'-P-C4' energy: -181.481
flat angles P-C4'-P energy: -124.675
tors. eta vs tors. theta energy: -173.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1964.910163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.910163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.910163 (E_RNA)
where:
Base-Base interactions energy: -1286.689
where: short stacking energy: -564.064
Base-Backbone interact. energy: -1.021
local terms energy: -677.199938
where:
bonds (distance) C4'-P energy: -151.270
bonds (distance) P-C4' energy: -147.570
flat angles C4'-P-C4' energy: -147.741
flat angles P-C4'-P energy: -103.742
tors. eta vs tors. theta energy: -126.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1685.483444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.483444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.483444 (E_RNA)
where:
Base-Base interactions energy: -1052.959
where: short stacking energy: -487.124
Base-Backbone interact. energy: 1.817
local terms energy: -634.341611
where:
bonds (distance) C4'-P energy: -135.509
bonds (distance) P-C4' energy: -161.918
flat angles C4'-P-C4' energy: -147.207
flat angles P-C4'-P energy: -89.557
tors. eta vs tors. theta energy: -100.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1078.895187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.895187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.895187 (E_RNA)
where:
Base-Base interactions energy: -573.177
where: short stacking energy: -304.132
Base-Backbone interact. energy: 15.094
local terms energy: -520.811942
where:
bonds (distance) C4'-P energy: -118.643
bonds (distance) P-C4' energy: -166.372
flat angles C4'-P-C4' energy: -155.938
flat angles P-C4'-P energy: -71.968
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -958.075963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.075963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.075963 (E_RNA)
where:
Base-Base interactions energy: -479.249
where: short stacking energy: -282.849
Base-Backbone interact. energy: 5.408
local terms energy: -484.234788
where:
bonds (distance) C4'-P energy: -150.934
bonds (distance) P-C4' energy: -140.151
flat angles C4'-P-C4' energy: -109.776
flat angles P-C4'-P energy: -79.070
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -3089.855160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3089.855160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3089.855160 (E_RNA)
where:
Base-Base interactions energy: -2104.935
where: short stacking energy: -898.196
Base-Backbone interact. energy: -1.835
local terms energy: -983.084472
where:
bonds (distance) C4'-P energy: -175.662
bonds (distance) P-C4' energy: -180.277
flat angles C4'-P-C4' energy: -215.561
flat angles P-C4'-P energy: -136.046
tors. eta vs tors. theta energy: -275.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2872.456629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.456629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.456629 (E_RNA)
where:
Base-Base interactions energy: -1973.618
where: short stacking energy: -830.338
Base-Backbone interact. energy: -2.954
local terms energy: -895.885099
where:
bonds (distance) C4'-P energy: -170.827
bonds (distance) P-C4' energy: -151.311
flat angles C4'-P-C4' energy: -200.022
flat angles P-C4'-P energy: -126.474
tors. eta vs tors. theta energy: -247.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2807.240057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.240057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.240057 (E_RNA)
where:
Base-Base interactions energy: -1885.900
where: short stacking energy: -829.589
Base-Backbone interact. energy: -3.690
local terms energy: -917.650245
where:
bonds (distance) C4'-P energy: -165.597
bonds (distance) P-C4' energy: -166.727
flat angles C4'-P-C4' energy: -210.098
flat angles P-C4'-P energy: -128.792
tors. eta vs tors. theta energy: -246.436
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: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2570.401555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.401555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.401555 (E_RNA)
where:
Base-Base interactions energy: -1739.786
where: short stacking energy: -718.716
Base-Backbone interact. energy: 4.385
local terms energy: -835.000432
where:
bonds (distance) C4'-P energy: -162.264
bonds (distance) P-C4' energy: -164.883
flat angles C4'-P-C4' energy: -173.874
flat angles P-C4'-P energy: -127.153
tors. eta vs tors. theta energy: -206.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2456.076133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.076133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.076133 (E_RNA)
where:
Base-Base interactions energy: -1638.094
where: short stacking energy: -724.188
Base-Backbone interact. energy: 0.537
local terms energy: -818.518494
where:
bonds (distance) C4'-P energy: -149.403
bonds (distance) P-C4' energy: -191.347
flat angles C4'-P-C4' energy: -159.105
flat angles P-C4'-P energy: -120.898
tors. eta vs tors. theta energy: -197.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2217.561130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.561130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.561130 (E_RNA)
where:
Base-Base interactions energy: -1470.584
where: short stacking energy: -637.132
Base-Backbone interact. energy: -2.424
local terms energy: -744.554068
where:
bonds (distance) C4'-P energy: -136.605
bonds (distance) P-C4' energy: -156.838
flat angles C4'-P-C4' energy: -191.272
flat angles P-C4'-P energy: -115.582
tors. eta vs tors. theta energy: -144.258
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: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1806.849623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.849623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.849623 (E_RNA)
where:
Base-Base interactions energy: -1127.195
where: short stacking energy: -518.744
Base-Backbone interact. energy: 2.631
local terms energy: -682.285870
where:
bonds (distance) C4'-P energy: -152.152
bonds (distance) P-C4' energy: -160.130
flat angles C4'-P-C4' energy: -158.520
flat angles P-C4'-P energy: -103.690
tors. eta vs tors. theta energy: -107.795
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: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1593.762177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.762177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.762177 (E_RNA)
where:
Base-Base interactions energy: -984.119
where: short stacking energy: -453.747
Base-Backbone interact. energy: -1.692
local terms energy: -607.950498
where:
bonds (distance) C4'-P energy: -135.268
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -141.547
flat angles P-C4'-P energy: -94.504
tors. eta vs tors. theta energy: -96.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1017.387154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.387154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.387154 (E_RNA)
where:
Base-Base interactions energy: -532.605
where: short stacking energy: -288.908
Base-Backbone interact. energy: 7.001
local terms energy: -491.782435
where:
bonds (distance) C4'-P energy: -147.820
bonds (distance) P-C4' energy: -118.027
flat angles C4'-P-C4' energy: -130.566
flat angles P-C4'-P energy: -74.275
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -902.414234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.414234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.414234 (E_RNA)
where:
Base-Base interactions energy: -418.234
where: short stacking energy: -266.350
Base-Backbone interact. energy: -3.679
local terms energy: -480.501512
where:
bonds (distance) C4'-P energy: -153.526
bonds (distance) P-C4' energy: -137.979
flat angles C4'-P-C4' energy: -125.854
flat angles P-C4'-P energy: -60.405
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -3083.471951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3083.471951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3083.471951 (E_RNA)
where:
Base-Base interactions energy: -2078.412
where: short stacking energy: -885.971
Base-Backbone interact. energy: -5.293
local terms energy: -999.766981
where:
bonds (distance) C4'-P energy: -180.452
bonds (distance) P-C4' energy: -189.320
flat angles C4'-P-C4' energy: -211.563
flat angles P-C4'-P energy: -144.104
tors. eta vs tors. theta energy: -274.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2862.407603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.407603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.407603 (E_RNA)
where:
Base-Base interactions energy: -1955.985
where: short stacking energy: -816.402
Base-Backbone interact. energy: -0.414
local terms energy: -906.008248
where:
bonds (distance) C4'-P energy: -171.505
bonds (distance) P-C4' energy: -170.852
flat angles C4'-P-C4' energy: -191.834
flat angles P-C4'-P energy: -128.139
tors. eta vs tors. theta energy: -243.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2757.142603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.142603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.142603 (E_RNA)
where:
Base-Base interactions energy: -1841.367
where: short stacking energy: -803.850
Base-Backbone interact. energy: -3.597
local terms energy: -912.178353
where:
bonds (distance) C4'-P energy: -158.683
bonds (distance) P-C4' energy: -192.003
flat angles C4'-P-C4' energy: -198.844
flat angles P-C4'-P energy: -135.091
tors. eta vs tors. theta energy: -227.557
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: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2501.712462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.712462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.712462 (E_RNA)
where:
Base-Base interactions energy: -1677.160
where: short stacking energy: -676.554
Base-Backbone interact. energy: -4.537
local terms energy: -820.015236
where:
bonds (distance) C4'-P energy: -157.163
bonds (distance) P-C4' energy: -172.616
flat angles C4'-P-C4' energy: -191.060
flat angles P-C4'-P energy: -114.272
tors. eta vs tors. theta energy: -184.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2510.737215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.737215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.737215 (E_RNA)
where:
Base-Base interactions energy: -1657.664
where: short stacking energy: -726.806
Base-Backbone interact. energy: -4.190
local terms energy: -848.883077
where:
bonds (distance) C4'-P energy: -157.257
bonds (distance) P-C4' energy: -168.185
flat angles C4'-P-C4' energy: -189.554
flat angles P-C4'-P energy: -117.538
tors. eta vs tors. theta energy: -216.349
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: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2221.697019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.697019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.697019 (E_RNA)
where:
Base-Base interactions energy: -1466.288
where: short stacking energy: -642.008
Base-Backbone interact. energy: -4.991
local terms energy: -750.418563
where:
bonds (distance) C4'-P energy: -158.739
bonds (distance) P-C4' energy: -157.213
flat angles C4'-P-C4' energy: -169.019
flat angles P-C4'-P energy: -96.844
tors. eta vs tors. theta energy: -168.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1839.925729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.925729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.925729 (E_RNA)
where:
Base-Base interactions energy: -1177.881
where: short stacking energy: -510.040
Base-Backbone interact. energy: 0.044
local terms energy: -662.088910
where:
bonds (distance) C4'-P energy: -149.537
bonds (distance) P-C4' energy: -173.094
flat angles C4'-P-C4' energy: -148.637
flat angles P-C4'-P energy: -91.860
tors. eta vs tors. theta energy: -98.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1572.390639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.390639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.390639 (E_RNA)
where:
Base-Base interactions energy: -935.568
where: short stacking energy: -448.199
Base-Backbone interact. energy: 5.047
local terms energy: -641.869558
where:
bonds (distance) C4'-P energy: -146.546
bonds (distance) P-C4' energy: -156.354
flat angles C4'-P-C4' energy: -165.223
flat angles P-C4'-P energy: -81.128
tors. eta vs tors. theta energy: -92.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -994.511890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.511890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.511890 (E_RNA)
where:
Base-Base interactions energy: -529.539
where: short stacking energy: -320.203
Base-Backbone interact. energy: -1.638
local terms energy: -463.335163
where:
bonds (distance) C4'-P energy: -126.999
bonds (distance) P-C4' energy: -142.336
flat angles C4'-P-C4' energy: -116.018
flat angles P-C4'-P energy: -57.784
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -889.756712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.756712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.756712 (E_RNA)
where:
Base-Base interactions energy: -444.361
where: short stacking energy: -243.467
Base-Backbone interact. energy: 1.578
local terms energy: -446.974080
where:
bonds (distance) C4'-P energy: -124.699
bonds (distance) P-C4' energy: -138.369
flat angles C4'-P-C4' energy: -128.240
flat angles P-C4'-P energy: -73.893
tors. eta vs tors. theta energy: 18.227
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: 237
Temperature: 0.900000
Total energy: -3083.636409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3083.636409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3083.636409 (E_RNA)
where:
Base-Base interactions energy: -2103.803
where: short stacking energy: -907.633
Base-Backbone interact. energy: -3.901
local terms energy: -975.932528
where:
bonds (distance) C4'-P energy: -168.230
bonds (distance) P-C4' energy: -191.209
flat angles C4'-P-C4' energy: -205.387
flat angles P-C4'-P energy: -135.326
tors. eta vs tors. theta energy: -275.780
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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2878.397939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.397939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.397939 (E_RNA)
where:
Base-Base interactions energy: -1936.878
where: short stacking energy: -798.696
Base-Backbone interact. energy: -5.267
local terms energy: -936.252767
where:
bonds (distance) C4'-P energy: -182.817
bonds (distance) P-C4' energy: -173.926
flat angles C4'-P-C4' energy: -204.921
flat angles P-C4'-P energy: -132.568
tors. eta vs tors. theta energy: -242.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2752.892127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.892127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.892127 (E_RNA)
where:
Base-Base interactions energy: -1853.718
where: short stacking energy: -793.577
Base-Backbone interact. energy: 1.345
local terms energy: -900.520022
where:
bonds (distance) C4'-P energy: -167.853
bonds (distance) P-C4' energy: -183.411
flat angles C4'-P-C4' energy: -190.398
flat angles P-C4'-P energy: -135.695
tors. eta vs tors. theta energy: -223.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2588.453096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.453096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.453096 (E_RNA)
where:
Base-Base interactions energy: -1744.518
where: short stacking energy: -727.780
Base-Backbone interact. energy: -4.153
local terms energy: -839.781234
where:
bonds (distance) C4'-P energy: -151.895
bonds (distance) P-C4' energy: -172.562
flat angles C4'-P-C4' energy: -193.242
flat angles P-C4'-P energy: -117.870
tors. eta vs tors. theta energy: -204.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2438.429708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.429708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.429708 (E_RNA)
where:
Base-Base interactions energy: -1611.684
where: short stacking energy: -733.539
Base-Backbone interact. energy: 1.014
local terms energy: -827.760187
where:
bonds (distance) C4'-P energy: -156.821
bonds (distance) P-C4' energy: -167.306
flat angles C4'-P-C4' energy: -185.198
flat angles P-C4'-P energy: -119.019
tors. eta vs tors. theta energy: -199.416
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2232.190595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.190595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.190595 (E_RNA)
where:
Base-Base interactions energy: -1509.746
where: short stacking energy: -626.277
Base-Backbone interact. energy: -1.485
local terms energy: -720.960191
where:
bonds (distance) C4'-P energy: -137.942
bonds (distance) P-C4' energy: -170.860
flat angles C4'-P-C4' energy: -164.339
flat angles P-C4'-P energy: -90.387
tors. eta vs tors. theta energy: -157.433
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1845.155151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.155151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.155151 (E_RNA)
where:
Base-Base interactions energy: -1201.987
where: short stacking energy: -544.340
Base-Backbone interact. energy: 0.492
local terms energy: -643.659947
where:
bonds (distance) C4'-P energy: -110.230
bonds (distance) P-C4' energy: -155.620
flat angles C4'-P-C4' energy: -163.413
flat angles P-C4'-P energy: -102.173
tors. eta vs tors. theta energy: -112.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1580.751737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.751737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.751737 (E_RNA)
where:
Base-Base interactions energy: -967.677
where: short stacking energy: -463.894
Base-Backbone interact. energy: 2.770
local terms energy: -615.844170
where:
bonds (distance) C4'-P energy: -143.075
bonds (distance) P-C4' energy: -155.547
flat angles C4'-P-C4' energy: -142.250
flat angles P-C4'-P energy: -91.348
tors. eta vs tors. theta energy: -83.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1032.730695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.730695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.730695 (E_RNA)
where:
Base-Base interactions energy: -508.073
where: short stacking energy: -317.478
Base-Backbone interact. energy: -2.212
local terms energy: -522.445186
where:
bonds (distance) C4'-P energy: -149.728
bonds (distance) P-C4' energy: -165.833
flat angles C4'-P-C4' energy: -114.846
flat angles P-C4'-P energy: -75.151
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -875.024435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.024435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.024435 (E_RNA)
where:
Base-Base interactions energy: -394.021
where: short stacking energy: -223.926
Base-Backbone interact. energy: 8.562
local terms energy: -489.565594
where:
bonds (distance) C4'-P energy: -149.986
bonds (distance) P-C4' energy: -161.897
flat angles C4'-P-C4' energy: -126.316
flat angles P-C4'-P energy: -74.602
tors. eta vs tors. theta energy: 23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -3079.893624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3079.893624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3079.893624 (E_RNA)
where:
Base-Base interactions energy: -2108.668
where: short stacking energy: -892.847
Base-Backbone interact. energy: -3.028
local terms energy: -968.197979
where:
bonds (distance) C4'-P energy: -171.411
bonds (distance) P-C4' energy: -186.533
flat angles C4'-P-C4' energy: -194.623
flat angles P-C4'-P energy: -132.034
tors. eta vs tors. theta energy: -283.598
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2895.539119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.539119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.539119 (E_RNA)
where:
Base-Base interactions energy: -1971.160
where: short stacking energy: -819.165
Base-Backbone interact. energy: 0.698
local terms energy: -925.077434
where:
bonds (distance) C4'-P energy: -181.500
bonds (distance) P-C4' energy: -184.585
flat angles C4'-P-C4' energy: -198.904
flat angles P-C4'-P energy: -134.184
tors. eta vs tors. theta energy: -225.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2772.772297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.772297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.772297 (E_RNA)
where:
Base-Base interactions energy: -1878.613
where: short stacking energy: -776.358
Base-Backbone interact. energy: 1.227
local terms energy: -895.386745
where:
bonds (distance) C4'-P energy: -174.685
bonds (distance) P-C4' energy: -175.249
flat angles C4'-P-C4' energy: -198.066
flat angles P-C4'-P energy: -110.328
tors. eta vs tors. theta energy: -237.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2531.522123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.522123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.522123 (E_RNA)
where:
Base-Base interactions energy: -1692.595
where: short stacking energy: -744.292
Base-Backbone interact. energy: -2.870
local terms energy: -836.057083
where:
bonds (distance) C4'-P energy: -177.055
bonds (distance) P-C4' energy: -169.958
flat angles C4'-P-C4' energy: -185.498
flat angles P-C4'-P energy: -105.636
tors. eta vs tors. theta energy: -197.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2405.641726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.641726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.641726 (E_RNA)
where:
Base-Base interactions energy: -1608.267
where: short stacking energy: -720.774
Base-Backbone interact. energy: 4.025
local terms energy: -801.399437
where:
bonds (distance) C4'-P energy: -159.626
bonds (distance) P-C4' energy: -156.716
flat angles C4'-P-C4' energy: -178.457
flat angles P-C4'-P energy: -116.472
tors. eta vs tors. theta energy: -190.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2235.249422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.249422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.249422 (E_RNA)
where:
Base-Base interactions energy: -1456.140
where: short stacking energy: -585.948
Base-Backbone interact. energy: -3.849
local terms energy: -775.260348
where:
bonds (distance) C4'-P energy: -142.630
bonds (distance) P-C4' energy: -183.172
flat angles C4'-P-C4' energy: -182.394
flat angles P-C4'-P energy: -117.200
tors. eta vs tors. theta energy: -149.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1863.325466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.325466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.325466 (E_RNA)
where:
Base-Base interactions energy: -1138.989
where: short stacking energy: -505.471
Base-Backbone interact. energy: 2.422
local terms energy: -726.758819
where:
bonds (distance) C4'-P energy: -150.157
bonds (distance) P-C4' energy: -182.122
flat angles C4'-P-C4' energy: -186.515
flat angles P-C4'-P energy: -92.426
tors. eta vs tors. theta energy: -115.540
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: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1605.972213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.972213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.972213 (E_RNA)
where:
Base-Base interactions energy: -1004.860
where: short stacking energy: -462.394
Base-Backbone interact. energy: -3.872
local terms energy: -597.240155
where:
bonds (distance) C4'-P energy: -111.091
bonds (distance) P-C4' energy: -148.454
flat angles C4'-P-C4' energy: -164.424
flat angles P-C4'-P energy: -85.911
tors. eta vs tors. theta energy: -87.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1010.072928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.072928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.072928 (E_RNA)
where:
Base-Base interactions energy: -510.664
where: short stacking energy: -262.540
Base-Backbone interact. energy: 3.710
local terms energy: -503.118630
where:
bonds (distance) C4'-P energy: -136.557
bonds (distance) P-C4' energy: -144.813
flat angles C4'-P-C4' energy: -137.435
flat angles P-C4'-P energy: -84.934
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: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -805.312923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.312923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.312923 (E_RNA)
where:
Base-Base interactions energy: -361.881
where: short stacking energy: -235.491
Base-Backbone interact. energy: 0.239
local terms energy: -443.671107
where:
bonds (distance) C4'-P energy: -122.592
bonds (distance) P-C4' energy: -145.639
flat angles C4'-P-C4' energy: -135.699
flat angles P-C4'-P energy: -61.389
tors. eta vs tors. theta energy: 21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -3070.017194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3070.017194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3070.017194 (E_RNA)
where:
Base-Base interactions energy: -2111.974
where: short stacking energy: -895.924
Base-Backbone interact. energy: -5.369
local terms energy: -952.673800
where:
bonds (distance) C4'-P energy: -184.409
bonds (distance) P-C4' energy: -174.714
flat angles C4'-P-C4' energy: -186.861
flat angles P-C4'-P energy: -137.885
tors. eta vs tors. theta energy: -268.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2878.670462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.670462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.670462 (E_RNA)
where:
Base-Base interactions energy: -1952.969
where: short stacking energy: -820.334
Base-Backbone interact. energy: 0.424
local terms energy: -926.125285
where:
bonds (distance) C4'-P energy: -172.691
bonds (distance) P-C4' energy: -172.911
flat angles C4'-P-C4' energy: -206.777
flat angles P-C4'-P energy: -127.490
tors. eta vs tors. theta energy: -246.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2761.790849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.790849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.790849 (E_RNA)
where:
Base-Base interactions energy: -1908.519
where: short stacking energy: -801.383
Base-Backbone interact. energy: -1.358
local terms energy: -851.914261
where:
bonds (distance) C4'-P energy: -153.003
bonds (distance) P-C4' energy: -162.388
flat angles C4'-P-C4' energy: -180.527
flat angles P-C4'-P energy: -128.394
tors. eta vs tors. theta energy: -227.602
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: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2525.042795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.042795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.042795 (E_RNA)
where:
Base-Base interactions energy: -1695.415
where: short stacking energy: -712.286
Base-Backbone interact. energy: -2.204
local terms energy: -827.423960
where:
bonds (distance) C4'-P energy: -165.881
bonds (distance) P-C4' energy: -165.683
flat angles C4'-P-C4' energy: -180.601
flat angles P-C4'-P energy: -116.315
tors. eta vs tors. theta energy: -198.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2423.994228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.994228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.994228 (E_RNA)
where:
Base-Base interactions energy: -1605.593
where: short stacking energy: -680.738
Base-Backbone interact. energy: -0.598
local terms energy: -817.803486
where:
bonds (distance) C4'-P energy: -174.038
bonds (distance) P-C4' energy: -155.280
flat angles C4'-P-C4' energy: -176.498
flat angles P-C4'-P energy: -104.161
tors. eta vs tors. theta energy: -207.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2258.769940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.769940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.769940 (E_RNA)
where:
Base-Base interactions energy: -1485.895
where: short stacking energy: -676.640
Base-Backbone interact. energy: -1.462
local terms energy: -771.412086
where:
bonds (distance) C4'-P energy: -156.463
bonds (distance) P-C4' energy: -168.694
flat angles C4'-P-C4' energy: -150.705
flat angles P-C4'-P energy: -112.705
tors. eta vs tors. theta energy: -182.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1899.995410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.995410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.995410 (E_RNA)
where:
Base-Base interactions energy: -1260.799
where: short stacking energy: -576.329
Base-Backbone interact. energy: -1.303
local terms energy: -637.893348
where:
bonds (distance) C4'-P energy: -118.581
bonds (distance) P-C4' energy: -144.399
flat angles C4'-P-C4' energy: -162.599
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -129.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1541.358355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.358355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.358355 (E_RNA)
where:
Base-Base interactions energy: -946.075
where: short stacking energy: -447.422
Base-Backbone interact. energy: -4.546
local terms energy: -590.737734
where:
bonds (distance) C4'-P energy: -147.253
bonds (distance) P-C4' energy: -122.157
flat angles C4'-P-C4' energy: -153.600
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -66.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1075.916791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.916791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.916791 (E_RNA)
where:
Base-Base interactions energy: -535.915
where: short stacking energy: -298.276
Base-Backbone interact. energy: -0.755
local terms energy: -539.246414
where:
bonds (distance) C4'-P energy: -154.585
bonds (distance) P-C4' energy: -150.859
flat angles C4'-P-C4' energy: -123.996
flat angles P-C4'-P energy: -98.672
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -807.328155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.328155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.328155 (E_RNA)
where:
Base-Base interactions energy: -373.322
where: short stacking energy: -227.169
Base-Backbone interact. energy: 8.203
local terms energy: -442.209307
where:
bonds (distance) C4'-P energy: -127.599
bonds (distance) P-C4' energy: -131.444
flat angles C4'-P-C4' energy: -124.501
flat angles P-C4'-P energy: -81.518
tors. eta vs tors. theta energy: 22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -3077.335311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3077.335311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3077.335311 (E_RNA)
where:
Base-Base interactions energy: -2089.959
where: short stacking energy: -868.166
Base-Backbone interact. energy: -5.542
local terms energy: -981.834000
where:
bonds (distance) C4'-P energy: -177.817
bonds (distance) P-C4' energy: -176.928
flat angles C4'-P-C4' energy: -203.536
flat angles P-C4'-P energy: -147.716
tors. eta vs tors. theta energy: -275.838
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: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2869.626170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.626170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.626170 (E_RNA)
where:
Base-Base interactions energy: -1947.036
where: short stacking energy: -815.827
Base-Backbone interact. energy: -3.823
local terms energy: -918.766719
where:
bonds (distance) C4'-P energy: -162.455
bonds (distance) P-C4' energy: -186.538
flat angles C4'-P-C4' energy: -198.235
flat angles P-C4'-P energy: -124.677
tors. eta vs tors. theta energy: -246.860
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: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2759.055699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.055699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.055699 (E_RNA)
where:
Base-Base interactions energy: -1878.721
where: short stacking energy: -794.404
Base-Backbone interact. energy: -3.767
local terms energy: -876.567670
where:
bonds (distance) C4'-P energy: -171.211
bonds (distance) P-C4' energy: -175.816
flat angles C4'-P-C4' energy: -190.926
flat angles P-C4'-P energy: -122.879
tors. eta vs tors. theta energy: -215.736
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: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2558.932050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.932050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.932050 (E_RNA)
where:
Base-Base interactions energy: -1723.191
where: short stacking energy: -756.336
Base-Backbone interact. energy: -2.936
local terms energy: -832.805128
where:
bonds (distance) C4'-P energy: -162.253
bonds (distance) P-C4' energy: -160.664
flat angles C4'-P-C4' energy: -178.263
flat angles P-C4'-P energy: -119.661
tors. eta vs tors. theta energy: -211.964
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: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2455.641278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.641278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.641278 (E_RNA)
where:
Base-Base interactions energy: -1615.175
where: short stacking energy: -707.817
Base-Backbone interact. energy: -6.484
local terms energy: -833.982777
where:
bonds (distance) C4'-P energy: -150.662
bonds (distance) P-C4' energy: -163.814
flat angles C4'-P-C4' energy: -188.860
flat angles P-C4'-P energy: -133.285
tors. eta vs tors. theta energy: -197.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2298.362997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.362997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.362997 (E_RNA)
where:
Base-Base interactions energy: -1504.716
where: short stacking energy: -645.357
Base-Backbone interact. energy: -0.256
local terms energy: -793.391076
where:
bonds (distance) C4'-P energy: -171.585
bonds (distance) P-C4' energy: -162.218
flat angles C4'-P-C4' energy: -180.384
flat angles P-C4'-P energy: -88.490
tors. eta vs tors. theta energy: -190.714
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: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1890.665955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.665955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.665955 (E_RNA)
where:
Base-Base interactions energy: -1212.051
where: short stacking energy: -545.127
Base-Backbone interact. energy: -4.983
local terms energy: -673.632711
where:
bonds (distance) C4'-P energy: -133.757
bonds (distance) P-C4' energy: -142.607
flat angles C4'-P-C4' energy: -161.566
flat angles P-C4'-P energy: -108.720
tors. eta vs tors. theta energy: -126.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1577.004696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.004696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.004696 (E_RNA)
where:
Base-Base interactions energy: -991.278
where: short stacking energy: -473.191
Base-Backbone interact. energy: -1.182
local terms energy: -584.544679
where:
bonds (distance) C4'-P energy: -142.728
bonds (distance) P-C4' energy: -152.420
flat angles C4'-P-C4' energy: -132.886
flat angles P-C4'-P energy: -75.112
tors. eta vs tors. theta energy: -81.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1050.878804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.878804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.878804 (E_RNA)
where:
Base-Base interactions energy: -533.360
where: short stacking energy: -321.447
Base-Backbone interact. energy: 1.978
local terms energy: -519.497163
where:
bonds (distance) C4'-P energy: -157.507
bonds (distance) P-C4' energy: -144.536
flat angles C4'-P-C4' energy: -123.952
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -15.357
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: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -794.963116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.963116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.963116 (E_RNA)
where:
Base-Base interactions energy: -351.574
where: short stacking energy: -203.307
Base-Backbone interact. energy: 1.974
local terms energy: -445.362787
where:
bonds (distance) C4'-P energy: -132.034
bonds (distance) P-C4' energy: -151.883
flat angles C4'-P-C4' energy: -123.188
flat angles P-C4'-P energy: -63.098
tors. eta vs tors. theta energy: 24.840
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: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -3045.325534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.325534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.325534 (E_RNA)
where:
Base-Base interactions energy: -2062.376
where: short stacking energy: -890.410
Base-Backbone interact. energy: -6.942
local terms energy: -976.008149
where:
bonds (distance) C4'-P energy: -183.652
bonds (distance) P-C4' energy: -182.050
flat angles C4'-P-C4' energy: -209.065
flat angles P-C4'-P energy: -136.415
tors. eta vs tors. theta energy: -264.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2881.394909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.394909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.394909 (E_RNA)
where:
Base-Base interactions energy: -1942.348
where: short stacking energy: -826.501
Base-Backbone interact. energy: 1.656
local terms energy: -940.702819
where:
bonds (distance) C4'-P energy: -179.868
bonds (distance) P-C4' energy: -192.708
flat angles C4'-P-C4' energy: -198.618
flat angles P-C4'-P energy: -131.403
tors. eta vs tors. theta energy: -238.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2748.274403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.274403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.274403 (E_RNA)
where:
Base-Base interactions energy: -1888.480
where: short stacking energy: -793.995
Base-Backbone interact. energy: -4.689
local terms energy: -855.105130
where:
bonds (distance) C4'-P energy: -168.877
bonds (distance) P-C4' energy: -162.460
flat angles C4'-P-C4' energy: -195.952
flat angles P-C4'-P energy: -119.659
tors. eta vs tors. theta energy: -208.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2520.771447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.771447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.771447 (E_RNA)
where:
Base-Base interactions energy: -1704.288
where: short stacking energy: -734.098
Base-Backbone interact. energy: -1.034
local terms energy: -815.449085
where:
bonds (distance) C4'-P energy: -149.274
bonds (distance) P-C4' energy: -178.709
flat angles C4'-P-C4' energy: -164.659
flat angles P-C4'-P energy: -116.247
tors. eta vs tors. theta energy: -206.559
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: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2483.517811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.517811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.517811 (E_RNA)
where:
Base-Base interactions energy: -1663.637
where: short stacking energy: -726.725
Base-Backbone interact. energy: 3.828
local terms energy: -823.708575
where:
bonds (distance) C4'-P energy: -146.225
bonds (distance) P-C4' energy: -156.823
flat angles C4'-P-C4' energy: -184.381
flat angles P-C4'-P energy: -118.376
tors. eta vs tors. theta energy: -217.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2244.622891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.622891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.622891 (E_RNA)
where:
Base-Base interactions energy: -1470.889
where: short stacking energy: -624.444
Base-Backbone interact. energy: 3.646
local terms energy: -777.379845
where:
bonds (distance) C4'-P energy: -161.041
bonds (distance) P-C4' energy: -163.309
flat angles C4'-P-C4' energy: -179.121
flat angles P-C4'-P energy: -110.410
tors. eta vs tors. theta energy: -163.500
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: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1880.762093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.762093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.762093 (E_RNA)
where:
Base-Base interactions energy: -1182.497
where: short stacking energy: -541.218
Base-Backbone interact. energy: -2.158
local terms energy: -696.107102
where:
bonds (distance) C4'-P energy: -131.332
bonds (distance) P-C4' energy: -156.548
flat angles C4'-P-C4' energy: -166.251
flat angles P-C4'-P energy: -113.879
tors. eta vs tors. theta energy: -128.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1599.165992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.165992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.165992 (E_RNA)
where:
Base-Base interactions energy: -965.439
where: short stacking energy: -438.918
Base-Backbone interact. energy: -5.117
local terms energy: -628.610764
where:
bonds (distance) C4'-P energy: -147.161
bonds (distance) P-C4' energy: -156.943
flat angles C4'-P-C4' energy: -156.877
flat angles P-C4'-P energy: -92.982
tors. eta vs tors. theta energy: -74.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1023.155110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.155110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.155110 (E_RNA)
where:
Base-Base interactions energy: -527.966
where: short stacking energy: -270.596
Base-Backbone interact. energy: -0.513
local terms energy: -494.675829
where:
bonds (distance) C4'-P energy: -141.017
bonds (distance) P-C4' energy: -165.682
flat angles C4'-P-C4' energy: -128.246
flat angles P-C4'-P energy: -73.190
tors. eta vs tors. theta energy: 13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -839.627153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.627153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.627153 (E_RNA)
where:
Base-Base interactions energy: -373.511
where: short stacking energy: -228.752
Base-Backbone interact. energy: 1.842
local terms energy: -467.957744
where:
bonds (distance) C4'-P energy: -143.050
bonds (distance) P-C4' energy: -161.583
flat angles C4'-P-C4' energy: -120.347
flat angles P-C4'-P energy: -60.869
tors. eta vs tors. theta energy: 17.891
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: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -3049.650515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.650515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.650515 (E_RNA)
where:
Base-Base interactions energy: -2052.171
where: short stacking energy: -891.464
Base-Backbone interact. energy: -2.492
local terms energy: -994.987956
where:
bonds (distance) C4'-P energy: -182.353
bonds (distance) P-C4' energy: -172.247
flat angles C4'-P-C4' energy: -207.412
flat angles P-C4'-P energy: -155.982
tors. eta vs tors. theta energy: -276.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2874.663926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.663926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.663926 (E_RNA)
where:
Base-Base interactions energy: -1935.548
where: short stacking energy: -810.586
Base-Backbone interact. energy: -1.937
local terms energy: -937.178862
where:
bonds (distance) C4'-P energy: -178.134
bonds (distance) P-C4' energy: -176.956
flat angles C4'-P-C4' energy: -199.674
flat angles P-C4'-P energy: -145.367
tors. eta vs tors. theta energy: -237.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2793.059869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.059869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.059869 (E_RNA)
where:
Base-Base interactions energy: -1855.695
where: short stacking energy: -760.194
Base-Backbone interact. energy: -6.719
local terms energy: -930.646116
where:
bonds (distance) C4'-P energy: -179.762
bonds (distance) P-C4' energy: -194.428
flat angles C4'-P-C4' energy: -202.468
flat angles P-C4'-P energy: -126.307
tors. eta vs tors. theta energy: -227.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2482.640950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.640950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.640950 (E_RNA)
where:
Base-Base interactions energy: -1678.730
where: short stacking energy: -724.949
Base-Backbone interact. energy: 0.171
local terms energy: -804.081415
where:
bonds (distance) C4'-P energy: -151.773
bonds (distance) P-C4' energy: -162.690
flat angles C4'-P-C4' energy: -181.542
flat angles P-C4'-P energy: -100.063
tors. eta vs tors. theta energy: -208.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2403.275677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.275677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.275677 (E_RNA)
where:
Base-Base interactions energy: -1595.548
where: short stacking energy: -719.019
Base-Backbone interact. energy: -1.566
local terms energy: -806.161388
where:
bonds (distance) C4'-P energy: -142.230
bonds (distance) P-C4' energy: -168.246
flat angles C4'-P-C4' energy: -183.691
flat angles P-C4'-P energy: -111.236
tors. eta vs tors. theta energy: -200.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2223.572372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.572372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.572372 (E_RNA)
where:
Base-Base interactions energy: -1467.865
where: short stacking energy: -629.753
Base-Backbone interact. energy: 1.382
local terms energy: -757.088915
where:
bonds (distance) C4'-P energy: -141.278
bonds (distance) P-C4' energy: -160.720
flat angles C4'-P-C4' energy: -162.942
flat angles P-C4'-P energy: -112.947
tors. eta vs tors. theta energy: -179.203
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: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1900.034276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.034276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.034276 (E_RNA)
where:
Base-Base interactions energy: -1220.561
where: short stacking energy: -514.538
Base-Backbone interact. energy: -0.322
local terms energy: -679.151459
where:
bonds (distance) C4'-P energy: -127.421
bonds (distance) P-C4' energy: -163.118
flat angles C4'-P-C4' energy: -148.672
flat angles P-C4'-P energy: -113.079
tors. eta vs tors. theta energy: -126.862
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: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1673.470339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.470339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.470339 (E_RNA)
where:
Base-Base interactions energy: -1097.760
where: short stacking energy: -490.294
Base-Backbone interact. energy: -0.839
local terms energy: -574.871818
where:
bonds (distance) C4'-P energy: -141.724
bonds (distance) P-C4' energy: -123.725
flat angles C4'-P-C4' energy: -153.206
flat angles P-C4'-P energy: -85.327
tors. eta vs tors. theta energy: -70.889
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: 242
Temperature: 1.300000
Total energy: -1001.790017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.790017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.790017 (E_RNA)
where:
Base-Base interactions energy: -497.403
where: short stacking energy: -277.436
Base-Backbone interact. energy: -0.782
local terms energy: -503.605552
where:
bonds (distance) C4'-P energy: -139.437
bonds (distance) P-C4' energy: -139.217
flat angles C4'-P-C4' energy: -137.061
flat angles P-C4'-P energy: -89.158
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -832.326606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.326606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.326606 (E_RNA)
where:
Base-Base interactions energy: -386.245
where: short stacking energy: -222.506
Base-Backbone interact. energy: 1.125
local terms energy: -447.206404
where:
bonds (distance) C4'-P energy: -143.864
bonds (distance) P-C4' energy: -144.652
flat angles C4'-P-C4' energy: -126.828
flat angles P-C4'-P energy: -84.085
tors. eta vs tors. theta energy: 52.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -3057.455800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3057.455800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3057.455800 (E_RNA)
where:
Base-Base interactions energy: -2083.127
where: short stacking energy: -928.702
Base-Backbone interact. energy: 0.379
local terms energy: -974.707757
where:
bonds (distance) C4'-P energy: -167.273
bonds (distance) P-C4' energy: -178.988
flat angles C4'-P-C4' energy: -215.376
flat angles P-C4'-P energy: -133.727
tors. eta vs tors. theta energy: -279.344
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: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2890.575861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.575861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.575861 (E_RNA)
where:
Base-Base interactions energy: -1964.525
where: short stacking energy: -820.939
Base-Backbone interact. energy: -4.079
local terms energy: -921.972152
where:
bonds (distance) C4'-P energy: -170.465
bonds (distance) P-C4' energy: -173.903
flat angles C4'-P-C4' energy: -199.893
flat angles P-C4'-P energy: -122.449
tors. eta vs tors. theta energy: -255.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2806.352595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.352595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.352595 (E_RNA)
where:
Base-Base interactions energy: -1917.706
where: short stacking energy: -809.828
Base-Backbone interact. energy: -5.956
local terms energy: -882.690073
where:
bonds (distance) C4'-P energy: -163.061
bonds (distance) P-C4' energy: -151.857
flat angles C4'-P-C4' energy: -207.880
flat angles P-C4'-P energy: -126.543
tors. eta vs tors. theta energy: -233.348
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: 243
Temperature: 1.050000
Total energy: -2513.840551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.840551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.840551 (E_RNA)
where:
Base-Base interactions energy: -1695.425
where: short stacking energy: -728.792
Base-Backbone interact. energy: -3.536
local terms energy: -814.878696
where:
bonds (distance) C4'-P energy: -174.298
bonds (distance) P-C4' energy: -161.321
flat angles C4'-P-C4' energy: -172.836
flat angles P-C4'-P energy: -106.819
tors. eta vs tors. theta energy: -199.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2428.792639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.792639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.792639 (E_RNA)
where:
Base-Base interactions energy: -1603.433
where: short stacking energy: -703.472
Base-Backbone interact. energy: -4.945
local terms energy: -820.415059
where:
bonds (distance) C4'-P energy: -172.958
bonds (distance) P-C4' energy: -143.004
flat angles C4'-P-C4' energy: -198.740
flat angles P-C4'-P energy: -118.638
tors. eta vs tors. theta energy: -187.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2256.422867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.422867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.422867 (E_RNA)
where:
Base-Base interactions energy: -1492.333
where: short stacking energy: -640.485
Base-Backbone interact. energy: -0.290
local terms energy: -763.800179
where:
bonds (distance) C4'-P energy: -161.063
bonds (distance) P-C4' energy: -173.140
flat angles C4'-P-C4' energy: -166.906
flat angles P-C4'-P energy: -91.743
tors. eta vs tors. theta energy: -170.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1937.714610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.714610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.714610 (E_RNA)
where:
Base-Base interactions energy: -1215.134
where: short stacking energy: -558.855
Base-Backbone interact. energy: -1.496
local terms energy: -721.084338
where:
bonds (distance) C4'-P energy: -149.831
bonds (distance) P-C4' energy: -158.205
flat angles C4'-P-C4' energy: -172.178
flat angles P-C4'-P energy: -98.258
tors. eta vs tors. theta energy: -142.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1598.442819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.442819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.442819 (E_RNA)
where:
Base-Base interactions energy: -994.325
where: short stacking energy: -449.074
Base-Backbone interact. energy: -0.009
local terms energy: -604.108976
where:
bonds (distance) C4'-P energy: -136.757
bonds (distance) P-C4' energy: -142.934
flat angles C4'-P-C4' energy: -151.440
flat angles P-C4'-P energy: -110.421
tors. eta vs tors. theta energy: -62.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1042.424037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.424037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.424037 (E_RNA)
where:
Base-Base interactions energy: -528.996
where: short stacking energy: -316.378
Base-Backbone interact. energy: 0.285
local terms energy: -513.712949
where:
bonds (distance) C4'-P energy: -138.233
bonds (distance) P-C4' energy: -131.024
flat angles C4'-P-C4' energy: -129.765
flat angles P-C4'-P energy: -90.974
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -891.905258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.905258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.905258 (E_RNA)
where:
Base-Base interactions energy: -417.487
where: short stacking energy: -243.267
Base-Backbone interact. energy: -0.985
local terms energy: -473.432478
where:
bonds (distance) C4'-P energy: -153.190
bonds (distance) P-C4' energy: -152.403
flat angles C4'-P-C4' energy: -137.381
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: 18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2994.907262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.907262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.907262 (E_RNA)
where:
Base-Base interactions energy: -2051.821
where: short stacking energy: -894.536
Base-Backbone interact. energy: -4.754
local terms energy: -938.332157
where:
bonds (distance) C4'-P energy: -169.155
bonds (distance) P-C4' energy: -174.361
flat angles C4'-P-C4' energy: -206.493
flat angles P-C4'-P energy: -122.830
tors. eta vs tors. theta energy: -265.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2913.215280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.215280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.215280 (E_RNA)
where:
Base-Base interactions energy: -1962.178
where: short stacking energy: -848.659
Base-Backbone interact. energy: 0.322
local terms energy: -951.359052
where:
bonds (distance) C4'-P energy: -180.122
bonds (distance) P-C4' energy: -186.798
flat angles C4'-P-C4' energy: -201.948
flat angles P-C4'-P energy: -128.522
tors. eta vs tors. theta energy: -253.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2813.421632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.421632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.421632 (E_RNA)
where:
Base-Base interactions energy: -1913.546
where: short stacking energy: -810.403
Base-Backbone interact. energy: -5.795
local terms energy: -894.081139
where:
bonds (distance) C4'-P energy: -169.022
bonds (distance) P-C4' energy: -152.843
flat angles C4'-P-C4' energy: -182.764
flat angles P-C4'-P energy: -147.478
tors. eta vs tors. theta energy: -241.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2557.116907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.116907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.116907 (E_RNA)
where:
Base-Base interactions energy: -1741.330
where: short stacking energy: -727.678
Base-Backbone interact. energy: -0.995
local terms energy: -814.792139
where:
bonds (distance) C4'-P energy: -164.530
bonds (distance) P-C4' energy: -162.235
flat angles C4'-P-C4' energy: -184.725
flat angles P-C4'-P energy: -109.865
tors. eta vs tors. theta energy: -193.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2428.122915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.122915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.122915 (E_RNA)
where:
Base-Base interactions energy: -1591.014
where: short stacking energy: -705.076
Base-Backbone interact. energy: -5.240
local terms energy: -831.868840
where:
bonds (distance) C4'-P energy: -166.517
bonds (distance) P-C4' energy: -175.421
flat angles C4'-P-C4' energy: -177.080
flat angles P-C4'-P energy: -115.827
tors. eta vs tors. theta energy: -197.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2294.924421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.924421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.924421 (E_RNA)
where:
Base-Base interactions energy: -1558.970
where: short stacking energy: -669.614
Base-Backbone interact. energy: 0.455
local terms energy: -736.409205
where:
bonds (distance) C4'-P energy: -162.983
bonds (distance) P-C4' energy: -127.446
flat angles C4'-P-C4' energy: -170.964
flat angles P-C4'-P energy: -101.786
tors. eta vs tors. theta energy: -173.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1967.672725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.672725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.672725 (E_RNA)
where:
Base-Base interactions energy: -1266.751
where: short stacking energy: -586.733
Base-Backbone interact. energy: 5.298
local terms energy: -706.219207
where:
bonds (distance) C4'-P energy: -160.880
bonds (distance) P-C4' energy: -143.149
flat angles C4'-P-C4' energy: -167.365
flat angles P-C4'-P energy: -104.525
tors. eta vs tors. theta energy: -130.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1528.241404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.241404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.241404 (E_RNA)
where:
Base-Base interactions energy: -966.244
where: short stacking energy: -460.999
Base-Backbone interact. energy: -0.662
local terms energy: -561.334633
where:
bonds (distance) C4'-P energy: -141.689
bonds (distance) P-C4' energy: -150.961
flat angles C4'-P-C4' energy: -125.873
flat angles P-C4'-P energy: -85.119
tors. eta vs tors. theta energy: -57.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1001.080117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.080117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.080117 (E_RNA)
where:
Base-Base interactions energy: -543.370
where: short stacking energy: -281.741
Base-Backbone interact. energy: -4.111
local terms energy: -453.599173
where:
bonds (distance) C4'-P energy: -130.568
bonds (distance) P-C4' energy: -135.123
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -74.942
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -860.334479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.334479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.334479 (E_RNA)
where:
Base-Base interactions energy: -424.512
where: short stacking energy: -245.008
Base-Backbone interact. energy: 2.088
local terms energy: -437.910327
where:
bonds (distance) C4'-P energy: -150.342
bonds (distance) P-C4' energy: -139.152
flat angles C4'-P-C4' energy: -120.246
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: 23.175
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -3042.606056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.606056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.606056 (E_RNA)
where:
Base-Base interactions energy: -2077.616
where: short stacking energy: -863.619
Base-Backbone interact. energy: -0.143
local terms energy: -964.847415
where:
bonds (distance) C4'-P energy: -180.951
bonds (distance) P-C4' energy: -175.628
flat angles C4'-P-C4' energy: -207.223
flat angles P-C4'-P energy: -129.952
tors. eta vs tors. theta energy: -271.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2866.543138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.543138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.543138 (E_RNA)
where:
Base-Base interactions energy: -1963.544
where: short stacking energy: -846.495
Base-Backbone interact. energy: -3.452
local terms energy: -899.547054
where:
bonds (distance) C4'-P energy: -153.896
bonds (distance) P-C4' energy: -172.514
flat angles C4'-P-C4' energy: -211.538
flat angles P-C4'-P energy: -112.857
tors. eta vs tors. theta energy: -248.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2836.821949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.821949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.821949 (E_RNA)
where:
Base-Base interactions energy: -1931.775
where: short stacking energy: -822.989
Base-Backbone interact. energy: -5.403
local terms energy: -899.644161
where:
bonds (distance) C4'-P energy: -156.820
bonds (distance) P-C4' energy: -161.567
flat angles C4'-P-C4' energy: -209.038
flat angles P-C4'-P energy: -122.768
tors. eta vs tors. theta energy: -249.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2573.966425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.966425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.966425 (E_RNA)
where:
Base-Base interactions energy: -1743.866
where: short stacking energy: -734.138
Base-Backbone interact. energy: 0.924
local terms energy: -831.024098
where:
bonds (distance) C4'-P energy: -157.243
bonds (distance) P-C4' energy: -158.749
flat angles C4'-P-C4' energy: -185.963
flat angles P-C4'-P energy: -121.051
tors. eta vs tors. theta energy: -208.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2377.500062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.500062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.500062 (E_RNA)
where:
Base-Base interactions energy: -1617.971
where: short stacking energy: -682.098
Base-Backbone interact. energy: -2.538
local terms energy: -756.991802
where:
bonds (distance) C4'-P energy: -133.605
bonds (distance) P-C4' energy: -147.200
flat angles C4'-P-C4' energy: -182.269
flat angles P-C4'-P energy: -98.560
tors. eta vs tors. theta energy: -195.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2267.306729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.306729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.306729 (E_RNA)
where:
Base-Base interactions energy: -1510.288
where: short stacking energy: -657.298
Base-Backbone interact. energy: -4.916
local terms energy: -752.102220
where:
bonds (distance) C4'-P energy: -126.681
bonds (distance) P-C4' energy: -175.041
flat angles C4'-P-C4' energy: -166.918
flat angles P-C4'-P energy: -104.740
tors. eta vs tors. theta energy: -178.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1936.426657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.426657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.426657 (E_RNA)
where:
Base-Base interactions energy: -1245.638
where: short stacking energy: -563.006
Base-Backbone interact. energy: 4.537
local terms energy: -695.325546
where:
bonds (distance) C4'-P energy: -139.933
bonds (distance) P-C4' energy: -156.967
flat angles C4'-P-C4' energy: -166.398
flat angles P-C4'-P energy: -90.483
tors. eta vs tors. theta energy: -141.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1498.029555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.029555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.029555 (E_RNA)
where:
Base-Base interactions energy: -936.167
where: short stacking energy: -426.864
Base-Backbone interact. energy: 3.984
local terms energy: -565.846779
where:
bonds (distance) C4'-P energy: -142.917
bonds (distance) P-C4' energy: -156.647
flat angles C4'-P-C4' energy: -130.452
flat angles P-C4'-P energy: -82.464
tors. eta vs tors. theta energy: -53.367
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: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1047.002401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.002401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.002401 (E_RNA)
where:
Base-Base interactions energy: -507.548
where: short stacking energy: -314.719
Base-Backbone interact. energy: 0.074
local terms energy: -539.528223
where:
bonds (distance) C4'-P energy: -132.907
bonds (distance) P-C4' energy: -167.574
flat angles C4'-P-C4' energy: -130.188
flat angles P-C4'-P energy: -96.162
tors. eta vs tors. theta energy: -12.698
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: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -834.644812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.644812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.644812 (E_RNA)
where:
Base-Base interactions energy: -385.521
where: short stacking energy: -226.172
Base-Backbone interact. energy: 0.079
local terms energy: -449.202603
where:
bonds (distance) C4'-P energy: -127.493
bonds (distance) P-C4' energy: -142.662
flat angles C4'-P-C4' energy: -118.333
flat angles P-C4'-P energy: -90.996
tors. eta vs tors. theta energy: 30.282
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: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -3056.140196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.140196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.140196 (E_RNA)
where:
Base-Base interactions energy: -2089.762
where: short stacking energy: -901.942
Base-Backbone interact. energy: -6.461
local terms energy: -959.917171
where:
bonds (distance) C4'-P energy: -157.682
bonds (distance) P-C4' energy: -175.435
flat angles C4'-P-C4' energy: -214.743
flat angles P-C4'-P energy: -136.644
tors. eta vs tors. theta energy: -275.414
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: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2893.019688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.019688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.019688 (E_RNA)
where:
Base-Base interactions energy: -1969.038
where: short stacking energy: -844.261
Base-Backbone interact. energy: -0.900
local terms energy: -923.081057
where:
bonds (distance) C4'-P energy: -178.864
bonds (distance) P-C4' energy: -171.320
flat angles C4'-P-C4' energy: -199.294
flat angles P-C4'-P energy: -130.894
tors. eta vs tors. theta energy: -242.708
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: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2845.631427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.631427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.631427 (E_RNA)
where:
Base-Base interactions energy: -1917.132
where: short stacking energy: -800.273
Base-Backbone interact. energy: -3.471
local terms energy: -925.028046
where:
bonds (distance) C4'-P energy: -182.103
bonds (distance) P-C4' energy: -174.621
flat angles C4'-P-C4' energy: -194.392
flat angles P-C4'-P energy: -140.815
tors. eta vs tors. theta energy: -233.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2549.934744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.934744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.934744 (E_RNA)
where:
Base-Base interactions energy: -1729.979
where: short stacking energy: -723.798
Base-Backbone interact. energy: -5.162
local terms energy: -814.793258
where:
bonds (distance) C4'-P energy: -160.117
bonds (distance) P-C4' energy: -172.483
flat angles C4'-P-C4' energy: -179.655
flat angles P-C4'-P energy: -110.435
tors. eta vs tors. theta energy: -192.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2400.130479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.130479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.130479 (E_RNA)
where:
Base-Base interactions energy: -1631.791
where: short stacking energy: -706.888
Base-Backbone interact. energy: -4.531
local terms energy: -763.808012
where:
bonds (distance) C4'-P energy: -148.960
bonds (distance) P-C4' energy: -166.924
flat angles C4'-P-C4' energy: -169.507
flat angles P-C4'-P energy: -106.979
tors. eta vs tors. theta energy: -171.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2297.644396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.644396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.644396 (E_RNA)
where:
Base-Base interactions energy: -1529.847
where: short stacking energy: -647.688
Base-Backbone interact. energy: 0.449
local terms energy: -768.246371
where:
bonds (distance) C4'-P energy: -167.031
bonds (distance) P-C4' energy: -147.651
flat angles C4'-P-C4' energy: -170.129
flat angles P-C4'-P energy: -101.313
tors. eta vs tors. theta energy: -182.122
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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1909.149555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.149555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.149555 (E_RNA)
where:
Base-Base interactions energy: -1210.626
where: short stacking energy: -542.644
Base-Backbone interact. energy: 1.121
local terms energy: -699.644562
where:
bonds (distance) C4'-P energy: -144.992
bonds (distance) P-C4' energy: -175.982
flat angles C4'-P-C4' energy: -161.849
flat angles P-C4'-P energy: -94.303
tors. eta vs tors. theta energy: -122.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1528.089187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.089187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.089187 (E_RNA)
where:
Base-Base interactions energy: -910.664
where: short stacking energy: -414.505
Base-Backbone interact. energy: -2.401
local terms energy: -615.023628
where:
bonds (distance) C4'-P energy: -135.174
bonds (distance) P-C4' energy: -163.341
flat angles C4'-P-C4' energy: -159.045
flat angles P-C4'-P energy: -95.136
tors. eta vs tors. theta energy: -62.328
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1051.912938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.912938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.912938 (E_RNA)
where:
Base-Base interactions energy: -517.605
where: short stacking energy: -301.490
Base-Backbone interact. energy: 2.948
local terms energy: -537.256017
where:
bonds (distance) C4'-P energy: -153.453
bonds (distance) P-C4' energy: -143.552
flat angles C4'-P-C4' energy: -141.926
flat angles P-C4'-P energy: -75.734
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -866.822270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.822270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.822270 (E_RNA)
where:
Base-Base interactions energy: -396.490
where: short stacking energy: -239.707
Base-Backbone interact. energy: -1.209
local terms energy: -469.123139
where:
bonds (distance) C4'-P energy: -141.496
bonds (distance) P-C4' energy: -122.231
flat angles C4'-P-C4' energy: -126.521
flat angles P-C4'-P energy: -87.441
tors. eta vs tors. theta energy: 8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -3067.070741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3067.070741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3067.070741 (E_RNA)
where:
Base-Base interactions energy: -2083.014
where: short stacking energy: -867.136
Base-Backbone interact. energy: -6.328
local terms energy: -977.728811
where:
bonds (distance) C4'-P energy: -190.588
bonds (distance) P-C4' energy: -187.773
flat angles C4'-P-C4' energy: -196.977
flat angles P-C4'-P energy: -134.633
tors. eta vs tors. theta energy: -267.758
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2872.146811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.146811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.146811 (E_RNA)
where:
Base-Base interactions energy: -1946.806
where: short stacking energy: -838.862
Base-Backbone interact. energy: -6.699
local terms energy: -918.641551
where:
bonds (distance) C4'-P energy: -182.338
bonds (distance) P-C4' energy: -164.761
flat angles C4'-P-C4' energy: -196.384
flat angles P-C4'-P energy: -135.066
tors. eta vs tors. theta energy: -240.093
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: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2818.367477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.367477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.367477 (E_RNA)
where:
Base-Base interactions energy: -1900.951
where: short stacking energy: -790.522
Base-Backbone interact. energy: -2.905
local terms energy: -914.511191
where:
bonds (distance) C4'-P energy: -168.875
bonds (distance) P-C4' energy: -163.049
flat angles C4'-P-C4' energy: -194.334
flat angles P-C4'-P energy: -140.727
tors. eta vs tors. theta energy: -247.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2532.786102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.786102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.786102 (E_RNA)
where:
Base-Base interactions energy: -1711.298
where: short stacking energy: -729.014
Base-Backbone interact. energy: -2.315
local terms energy: -819.173308
where:
bonds (distance) C4'-P energy: -146.816
bonds (distance) P-C4' energy: -179.530
flat angles C4'-P-C4' energy: -186.965
flat angles P-C4'-P energy: -101.137
tors. eta vs tors. theta energy: -204.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2435.605385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.605385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.605385 (E_RNA)
where:
Base-Base interactions energy: -1615.508
where: short stacking energy: -695.746
Base-Backbone interact. energy: 2.543
local terms energy: -822.640984
where:
bonds (distance) C4'-P energy: -159.768
bonds (distance) P-C4' energy: -159.238
flat angles C4'-P-C4' energy: -187.715
flat angles P-C4'-P energy: -122.816
tors. eta vs tors. theta energy: -193.104
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: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2266.126825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.126825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.126825 (E_RNA)
where:
Base-Base interactions energy: -1483.683
where: short stacking energy: -661.797
Base-Backbone interact. energy: -2.691
local terms energy: -779.753169
where:
bonds (distance) C4'-P energy: -156.383
bonds (distance) P-C4' energy: -165.209
flat angles C4'-P-C4' energy: -176.278
flat angles P-C4'-P energy: -97.809
tors. eta vs tors. theta energy: -184.075
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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1881.510604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.510604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.510604 (E_RNA)
where:
Base-Base interactions energy: -1210.184
where: short stacking energy: -535.091
Base-Backbone interact. energy: 4.324
local terms energy: -675.650006
where:
bonds (distance) C4'-P energy: -140.434
bonds (distance) P-C4' energy: -154.905
flat angles C4'-P-C4' energy: -161.387
flat angles P-C4'-P energy: -105.111
tors. eta vs tors. theta energy: -113.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1516.912280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.912280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.912280 (E_RNA)
where:
Base-Base interactions energy: -956.221
where: short stacking energy: -453.111
Base-Backbone interact. energy: 1.358
local terms energy: -562.050073
where:
bonds (distance) C4'-P energy: -143.624
bonds (distance) P-C4' energy: -149.967
flat angles C4'-P-C4' energy: -113.996
flat angles P-C4'-P energy: -91.702
tors. eta vs tors. theta energy: -62.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1076.910687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.910687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.910687 (E_RNA)
where:
Base-Base interactions energy: -564.826
where: short stacking energy: -304.126
Base-Backbone interact. energy: -1.463
local terms energy: -510.620998
where:
bonds (distance) C4'-P energy: -165.646
bonds (distance) P-C4' energy: -155.510
flat angles C4'-P-C4' energy: -109.539
flat angles P-C4'-P energy: -80.804
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -816.043092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.043092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.043092 (E_RNA)
where:
Base-Base interactions energy: -387.678
where: short stacking energy: -218.123
Base-Backbone interact. energy: -3.653
local terms energy: -424.712628
where:
bonds (distance) C4'-P energy: -153.566
bonds (distance) P-C4' energy: -111.278
flat angles C4'-P-C4' energy: -114.401
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: 35.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -3068.369180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3068.369180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3068.369180 (E_RNA)
where:
Base-Base interactions energy: -2076.762
where: short stacking energy: -881.536
Base-Backbone interact. energy: -0.552
local terms energy: -991.054854
where:
bonds (distance) C4'-P energy: -176.231
bonds (distance) P-C4' energy: -191.897
flat angles C4'-P-C4' energy: -201.582
flat angles P-C4'-P energy: -147.776
tors. eta vs tors. theta energy: -273.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2911.662194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.662194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.662194 (E_RNA)
where:
Base-Base interactions energy: -2005.327
where: short stacking energy: -805.714
Base-Backbone interact. energy: -1.657
local terms energy: -904.678240
where:
bonds (distance) C4'-P energy: -171.693
bonds (distance) P-C4' energy: -184.516
flat angles C4'-P-C4' energy: -187.963
flat angles P-C4'-P energy: -132.459
tors. eta vs tors. theta energy: -228.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2824.232852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.232852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.232852 (E_RNA)
where:
Base-Base interactions energy: -1955.826
where: short stacking energy: -798.988
Base-Backbone interact. energy: 2.941
local terms energy: -871.347704
where:
bonds (distance) C4'-P energy: -159.910
bonds (distance) P-C4' energy: -165.493
flat angles C4'-P-C4' energy: -176.783
flat angles P-C4'-P energy: -124.288
tors. eta vs tors. theta energy: -244.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2502.125954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.125954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.125954 (E_RNA)
where:
Base-Base interactions energy: -1681.081
where: short stacking energy: -718.350
Base-Backbone interact. energy: -4.450
local terms energy: -816.594498
where:
bonds (distance) C4'-P energy: -152.989
bonds (distance) P-C4' energy: -181.878
flat angles C4'-P-C4' energy: -169.436
flat angles P-C4'-P energy: -114.375
tors. eta vs tors. theta energy: -197.916
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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2461.084170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.084170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.084170 (E_RNA)
where:
Base-Base interactions energy: -1646.466
where: short stacking energy: -718.769
Base-Backbone interact. energy: -3.878
local terms energy: -810.740862
where:
bonds (distance) C4'-P energy: -179.356
bonds (distance) P-C4' energy: -153.760
flat angles C4'-P-C4' energy: -171.676
flat angles P-C4'-P energy: -107.888
tors. eta vs tors. theta energy: -198.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2266.109987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.109987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.109987 (E_RNA)
where:
Base-Base interactions energy: -1509.550
where: short stacking energy: -673.082
Base-Backbone interact. energy: -0.159
local terms energy: -756.401665
where:
bonds (distance) C4'-P energy: -146.412
bonds (distance) P-C4' energy: -142.079
flat angles C4'-P-C4' energy: -180.133
flat angles P-C4'-P energy: -107.539
tors. eta vs tors. theta energy: -180.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1902.197714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.197714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.197714 (E_RNA)
where:
Base-Base interactions energy: -1245.590
where: short stacking energy: -555.747
Base-Backbone interact. energy: 1.639
local terms energy: -658.246279
where:
bonds (distance) C4'-P energy: -149.531
bonds (distance) P-C4' energy: -145.210
flat angles C4'-P-C4' energy: -158.038
flat angles P-C4'-P energy: -101.966
tors. eta vs tors. theta energy: -103.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1482.261723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.261723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.261723 (E_RNA)
where:
Base-Base interactions energy: -903.757
where: short stacking energy: -404.284
Base-Backbone interact. energy: -0.278
local terms energy: -578.227450
where:
bonds (distance) C4'-P energy: -126.865
bonds (distance) P-C4' energy: -168.536
flat angles C4'-P-C4' energy: -149.594
flat angles P-C4'-P energy: -95.533
tors. eta vs tors. theta energy: -37.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1070.069705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.069705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.069705 (E_RNA)
where:
Base-Base interactions energy: -569.272
where: short stacking energy: -288.408
Base-Backbone interact. energy: 0.097
local terms energy: -500.894489
where:
bonds (distance) C4'-P energy: -146.249
bonds (distance) P-C4' energy: -137.894
flat angles C4'-P-C4' energy: -131.366
flat angles P-C4'-P energy: -82.038
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -841.486074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.486074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.486074 (E_RNA)
where:
Base-Base interactions energy: -400.105
where: short stacking energy: -247.441
Base-Backbone interact. energy: 2.806
local terms energy: -444.186930
where:
bonds (distance) C4'-P energy: -145.191
bonds (distance) P-C4' energy: -125.255
flat angles C4'-P-C4' energy: -130.407
flat angles P-C4'-P energy: -56.446
tors. eta vs tors. theta energy: 13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -3051.553306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3051.553306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3051.553306 (E_RNA)
where:
Base-Base interactions energy: -2081.685
where: short stacking energy: -908.201
Base-Backbone interact. energy: -2.989
local terms energy: -966.878971
where:
bonds (distance) C4'-P energy: -168.192
bonds (distance) P-C4' energy: -180.887
flat angles C4'-P-C4' energy: -209.903
flat angles P-C4'-P energy: -132.830
tors. eta vs tors. theta energy: -275.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2887.124027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.124027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.124027 (E_RNA)
where:
Base-Base interactions energy: -1988.388
where: short stacking energy: -780.276
Base-Backbone interact. energy: -7.871
local terms energy: -890.864679
where:
bonds (distance) C4'-P energy: -164.238
bonds (distance) P-C4' energy: -174.544
flat angles C4'-P-C4' energy: -195.913
flat angles P-C4'-P energy: -133.304
tors. eta vs tors. theta energy: -222.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2803.991757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.991757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.991757 (E_RNA)
where:
Base-Base interactions energy: -1940.428
where: short stacking energy: -812.113
Base-Backbone interact. energy: 0.757
local terms energy: -864.320571
where:
bonds (distance) C4'-P energy: -161.809
bonds (distance) P-C4' energy: -162.322
flat angles C4'-P-C4' energy: -193.775
flat angles P-C4'-P energy: -109.079
tors. eta vs tors. theta energy: -237.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2558.778577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.778577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.778577 (E_RNA)
where:
Base-Base interactions energy: -1755.997
where: short stacking energy: -735.536
Base-Backbone interact. energy: -4.739
local terms energy: -798.042516
where:
bonds (distance) C4'-P energy: -157.050
bonds (distance) P-C4' energy: -174.583
flat angles C4'-P-C4' energy: -178.151
flat angles P-C4'-P energy: -94.118
tors. eta vs tors. theta energy: -194.141
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: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2519.570081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.570081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.570081 (E_RNA)
where:
Base-Base interactions energy: -1677.636
where: short stacking energy: -755.665
Base-Backbone interact. energy: -1.595
local terms energy: -840.338857
where:
bonds (distance) C4'-P energy: -143.049
bonds (distance) P-C4' energy: -168.732
flat angles C4'-P-C4' energy: -186.165
flat angles P-C4'-P energy: -120.827
tors. eta vs tors. theta energy: -221.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2303.054375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.054375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.054375 (E_RNA)
where:
Base-Base interactions energy: -1520.522
where: short stacking energy: -653.602
Base-Backbone interact. energy: -4.285
local terms energy: -778.247348
where:
bonds (distance) C4'-P energy: -155.180
bonds (distance) P-C4' energy: -166.950
flat angles C4'-P-C4' energy: -180.446
flat angles P-C4'-P energy: -110.688
tors. eta vs tors. theta energy: -164.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1967.316864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.316864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.316864 (E_RNA)
where:
Base-Base interactions energy: -1285.887
where: short stacking energy: -560.570
Base-Backbone interact. energy: 2.093
local terms energy: -683.522483
where:
bonds (distance) C4'-P energy: -156.658
bonds (distance) P-C4' energy: -146.446
flat angles C4'-P-C4' energy: -153.307
flat angles P-C4'-P energy: -114.004
tors. eta vs tors. theta energy: -113.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1547.760229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.760229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.760229 (E_RNA)
where:
Base-Base interactions energy: -946.247
where: short stacking energy: -453.352
Base-Backbone interact. energy: 1.758
local terms energy: -603.271338
where:
bonds (distance) C4'-P energy: -138.687
bonds (distance) P-C4' energy: -145.872
flat angles C4'-P-C4' energy: -140.872
flat angles P-C4'-P energy: -88.445
tors. eta vs tors. theta energy: -89.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -942.272993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.272993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.272993 (E_RNA)
where:
Base-Base interactions energy: -434.645
where: short stacking energy: -274.133
Base-Backbone interact. energy: 5.904
local terms energy: -513.532103
where:
bonds (distance) C4'-P energy: -140.431
bonds (distance) P-C4' energy: -155.224
flat angles C4'-P-C4' energy: -127.253
flat angles P-C4'-P energy: -69.454
tors. eta vs tors. theta energy: -21.170
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: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -813.698596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.698596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.698596 (E_RNA)
where:
Base-Base interactions energy: -382.805
where: short stacking energy: -227.876
Base-Backbone interact. energy: 4.274
local terms energy: -435.167841
where:
bonds (distance) C4'-P energy: -146.439
bonds (distance) P-C4' energy: -139.109
flat angles C4'-P-C4' energy: -107.415
flat angles P-C4'-P energy: -64.700
tors. eta vs tors. theta energy: 22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -3053.251847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.251847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.251847 (E_RNA)
where:
Base-Base interactions energy: -2074.758
where: short stacking energy: -906.663
Base-Backbone interact. energy: -4.541
local terms energy: -973.953200
where:
bonds (distance) C4'-P energy: -172.550
bonds (distance) P-C4' energy: -176.136
flat angles C4'-P-C4' energy: -206.361
flat angles P-C4'-P energy: -142.975
tors. eta vs tors. theta energy: -275.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2901.212216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.212216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.212216 (E_RNA)
where:
Base-Base interactions energy: -1982.002
where: short stacking energy: -838.535
Base-Backbone interact. energy: -5.411
local terms energy: -913.799577
where:
bonds (distance) C4'-P energy: -165.364
bonds (distance) P-C4' energy: -187.556
flat angles C4'-P-C4' energy: -190.592
flat angles P-C4'-P energy: -128.174
tors. eta vs tors. theta energy: -242.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2888.603992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.603992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.603992 (E_RNA)
where:
Base-Base interactions energy: -2004.988
where: short stacking energy: -844.175
Base-Backbone interact. energy: -2.573
local terms energy: -881.043434
where:
bonds (distance) C4'-P energy: -140.921
bonds (distance) P-C4' energy: -180.918
flat angles C4'-P-C4' energy: -182.939
flat angles P-C4'-P energy: -133.461
tors. eta vs tors. theta energy: -242.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2497.476908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.476908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.476908 (E_RNA)
where:
Base-Base interactions energy: -1646.292
where: short stacking energy: -691.887
Base-Backbone interact. energy: -3.766
local terms energy: -847.419145
where:
bonds (distance) C4'-P energy: -173.677
bonds (distance) P-C4' energy: -173.486
flat angles C4'-P-C4' energy: -185.862
flat angles P-C4'-P energy: -124.299
tors. eta vs tors. theta energy: -190.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2448.860132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.860132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.860132 (E_RNA)
where:
Base-Base interactions energy: -1636.536
where: short stacking energy: -758.781
Base-Backbone interact. energy: 0.745
local terms energy: -813.069641
where:
bonds (distance) C4'-P energy: -140.869
bonds (distance) P-C4' energy: -151.345
flat angles C4'-P-C4' energy: -185.815
flat angles P-C4'-P energy: -122.963
tors. eta vs tors. theta energy: -212.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2190.795243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.795243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.795243 (E_RNA)
where:
Base-Base interactions energy: -1426.167
where: short stacking energy: -602.827
Base-Backbone interact. energy: -2.165
local terms energy: -762.463566
where:
bonds (distance) C4'-P energy: -169.064
bonds (distance) P-C4' energy: -156.771
flat angles C4'-P-C4' energy: -164.236
flat angles P-C4'-P energy: -124.374
tors. eta vs tors. theta energy: -148.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1968.191134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.191134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.191134 (E_RNA)
where:
Base-Base interactions energy: -1254.403
where: short stacking energy: -552.205
Base-Backbone interact. energy: -1.110
local terms energy: -712.677862
where:
bonds (distance) C4'-P energy: -136.591
bonds (distance) P-C4' energy: -165.215
flat angles C4'-P-C4' energy: -173.514
flat angles P-C4'-P energy: -92.049
tors. eta vs tors. theta energy: -145.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1563.766944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.766944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.766944 (E_RNA)
where:
Base-Base interactions energy: -956.183
where: short stacking energy: -441.991
Base-Backbone interact. energy: 4.171
local terms energy: -611.754390
where:
bonds (distance) C4'-P energy: -153.944
bonds (distance) P-C4' energy: -146.534
flat angles C4'-P-C4' energy: -153.159
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -66.135
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: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -956.765640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.765640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.765640 (E_RNA)
where:
Base-Base interactions energy: -490.581
where: short stacking energy: -278.883
Base-Backbone interact. energy: 0.006
local terms energy: -466.190841
where:
bonds (distance) C4'-P energy: -125.770
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -135.654
flat angles P-C4'-P energy: -67.314
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -859.194242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.194242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.194242 (E_RNA)
where:
Base-Base interactions energy: -373.721
where: short stacking energy: -232.273
Base-Backbone interact. energy: 2.066
local terms energy: -487.539260
where:
bonds (distance) C4'-P energy: -156.768
bonds (distance) P-C4' energy: -141.363
flat angles C4'-P-C4' energy: -119.776
flat angles P-C4'-P energy: -82.893
tors. eta vs tors. theta energy: 13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -3027.904705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3027.904705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3027.904705 (E_RNA)
where:
Base-Base interactions energy: -2081.742
where: short stacking energy: -911.833
Base-Backbone interact. energy: -4.270
local terms energy: -941.892645
where:
bonds (distance) C4'-P energy: -169.301
bonds (distance) P-C4' energy: -168.902
flat angles C4'-P-C4' energy: -199.238
flat angles P-C4'-P energy: -125.751
tors. eta vs tors. theta energy: -278.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2950.566991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.566991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.566991 (E_RNA)
where:
Base-Base interactions energy: -2023.648
where: short stacking energy: -813.632
Base-Backbone interact. energy: 0.096
local terms energy: -927.014455
where:
bonds (distance) C4'-P energy: -170.480
bonds (distance) P-C4' energy: -180.491
flat angles C4'-P-C4' energy: -196.892
flat angles P-C4'-P energy: -137.430
tors. eta vs tors. theta energy: -241.721
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: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2872.234526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.234526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.234526 (E_RNA)
where:
Base-Base interactions energy: -1979.930
where: short stacking energy: -837.265
Base-Backbone interact. energy: -2.364
local terms energy: -889.940967
where:
bonds (distance) C4'-P energy: -153.732
bonds (distance) P-C4' energy: -163.879
flat angles C4'-P-C4' energy: -207.091
flat angles P-C4'-P energy: -116.725
tors. eta vs tors. theta energy: -248.515
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: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2544.214175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.214175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.214175 (E_RNA)
where:
Base-Base interactions energy: -1690.990
where: short stacking energy: -748.709
Base-Backbone interact. energy: 0.303
local terms energy: -853.526845
where:
bonds (distance) C4'-P energy: -157.882
bonds (distance) P-C4' energy: -167.020
flat angles C4'-P-C4' energy: -177.717
flat angles P-C4'-P energy: -133.698
tors. eta vs tors. theta energy: -217.210
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: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2460.497557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.497557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.497557 (E_RNA)
where:
Base-Base interactions energy: -1679.744
where: short stacking energy: -769.735
Base-Backbone interact. energy: 0.651
local terms energy: -781.404148
where:
bonds (distance) C4'-P energy: -137.038
bonds (distance) P-C4' energy: -138.680
flat angles C4'-P-C4' energy: -188.403
flat angles P-C4'-P energy: -101.427
tors. eta vs tors. theta energy: -215.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2213.507310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.507310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.507310 (E_RNA)
where:
Base-Base interactions energy: -1460.477
where: short stacking energy: -648.912
Base-Backbone interact. energy: -1.104
local terms energy: -751.926861
where:
bonds (distance) C4'-P energy: -147.974
bonds (distance) P-C4' energy: -161.888
flat angles C4'-P-C4' energy: -164.469
flat angles P-C4'-P energy: -115.431
tors. eta vs tors. theta energy: -162.165
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: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1914.265914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.265914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.265914 (E_RNA)
where:
Base-Base interactions energy: -1236.974
where: short stacking energy: -541.445
Base-Backbone interact. energy: 0.720
local terms energy: -678.011594
where:
bonds (distance) C4'-P energy: -152.801
bonds (distance) P-C4' energy: -169.102
flat angles C4'-P-C4' energy: -166.066
flat angles P-C4'-P energy: -90.227
tors. eta vs tors. theta energy: -99.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1562.212836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.212836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.212836 (E_RNA)
where:
Base-Base interactions energy: -949.247
where: short stacking energy: -412.946
Base-Backbone interact. energy: 0.015
local terms energy: -612.980892
where:
bonds (distance) C4'-P energy: -160.881
bonds (distance) P-C4' energy: -147.775
flat angles C4'-P-C4' energy: -169.833
flat angles P-C4'-P energy: -70.630
tors. eta vs tors. theta energy: -63.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -924.000665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.000665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.000665 (E_RNA)
where:
Base-Base interactions energy: -428.183
where: short stacking energy: -268.355
Base-Backbone interact. energy: 1.254
local terms energy: -497.071904
where:
bonds (distance) C4'-P energy: -126.067
bonds (distance) P-C4' energy: -146.003
flat angles C4'-P-C4' energy: -160.931
flat angles P-C4'-P energy: -78.557
tors. eta vs tors. theta energy: 14.486
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: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -820.647407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.647407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.647407 (E_RNA)
where:
Base-Base interactions energy: -403.138
where: short stacking energy: -231.744
Base-Backbone interact. energy: -1.802
local terms energy: -415.707232
where:
bonds (distance) C4'-P energy: -122.441
bonds (distance) P-C4' energy: -146.875
flat angles C4'-P-C4' energy: -104.096
flat angles P-C4'-P energy: -71.588
tors. eta vs tors. theta energy: 29.292
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: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -3030.323214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3030.323214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3030.323214 (E_RNA)
where:
Base-Base interactions energy: -2090.833
where: short stacking energy: -913.617
Base-Backbone interact. energy: -2.536
local terms energy: -936.954377
where:
bonds (distance) C4'-P energy: -169.973
bonds (distance) P-C4' energy: -169.646
flat angles C4'-P-C4' energy: -207.338
flat angles P-C4'-P energy: -121.489
tors. eta vs tors. theta energy: -268.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2898.437114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.437114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.437114 (E_RNA)
where:
Base-Base interactions energy: -1971.706
where: short stacking energy: -815.313
Base-Backbone interact. energy: -5.381
local terms energy: -921.349447
where:
bonds (distance) C4'-P energy: -170.888
bonds (distance) P-C4' energy: -186.081
flat angles C4'-P-C4' energy: -190.977
flat angles P-C4'-P energy: -141.535
tors. eta vs tors. theta energy: -231.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2831.818889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.818889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.818889 (E_RNA)
where:
Base-Base interactions energy: -1941.461
where: short stacking energy: -818.127
Base-Backbone interact. energy: -4.270
local terms energy: -886.087773
where:
bonds (distance) C4'-P energy: -167.634
bonds (distance) P-C4' energy: -161.972
flat angles C4'-P-C4' energy: -193.017
flat angles P-C4'-P energy: -116.766
tors. eta vs tors. theta energy: -246.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2571.165844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.165844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.165844 (E_RNA)
where:
Base-Base interactions energy: -1723.646
where: short stacking energy: -720.665
Base-Backbone interact. energy: -1.145
local terms energy: -846.375212
where:
bonds (distance) C4'-P energy: -166.813
bonds (distance) P-C4' energy: -172.305
flat angles C4'-P-C4' energy: -183.701
flat angles P-C4'-P energy: -120.964
tors. eta vs tors. theta energy: -202.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2460.512599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.512599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.512599 (E_RNA)
where:
Base-Base interactions energy: -1650.180
where: short stacking energy: -703.580
Base-Backbone interact. energy: 4.397
local terms energy: -814.729365
where:
bonds (distance) C4'-P energy: -138.961
bonds (distance) P-C4' energy: -176.892
flat angles C4'-P-C4' energy: -173.342
flat angles P-C4'-P energy: -121.525
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: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2217.284946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.284946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.284946 (E_RNA)
where:
Base-Base interactions energy: -1421.806
where: short stacking energy: -612.786
Base-Backbone interact. energy: -0.663
local terms energy: -794.815697
where:
bonds (distance) C4'-P energy: -158.607
bonds (distance) P-C4' energy: -156.816
flat angles C4'-P-C4' energy: -197.569
flat angles P-C4'-P energy: -117.661
tors. eta vs tors. theta energy: -164.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1893.370825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.370825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.370825 (E_RNA)
where:
Base-Base interactions energy: -1239.395
where: short stacking energy: -520.875
Base-Backbone interact. energy: -4.425
local terms energy: -649.550208
where:
bonds (distance) C4'-P energy: -142.543
bonds (distance) P-C4' energy: -166.463
flat angles C4'-P-C4' energy: -139.858
flat angles P-C4'-P energy: -87.724
tors. eta vs tors. theta energy: -112.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1610.056890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.056890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.056890 (E_RNA)
where:
Base-Base interactions energy: -997.717
where: short stacking energy: -468.278
Base-Backbone interact. energy: 1.205
local terms energy: -613.544847
where:
bonds (distance) C4'-P energy: -150.620
bonds (distance) P-C4' energy: -150.148
flat angles C4'-P-C4' energy: -139.652
flat angles P-C4'-P energy: -103.791
tors. eta vs tors. theta energy: -69.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -948.926270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.926270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.926270 (E_RNA)
where:
Base-Base interactions energy: -447.553
where: short stacking energy: -246.843
Base-Backbone interact. energy: 3.246
local terms energy: -504.618736
where:
bonds (distance) C4'-P energy: -145.005
bonds (distance) P-C4' energy: -133.587
flat angles C4'-P-C4' energy: -140.501
flat angles P-C4'-P energy: -94.443
tors. eta vs tors. theta energy: 8.917
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: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -778.899155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.899155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.899155 (E_RNA)
where:
Base-Base interactions energy: -337.621
where: short stacking energy: -202.632
Base-Backbone interact. energy: 4.638
local terms energy: -445.916327
where:
bonds (distance) C4'-P energy: -146.587
bonds (distance) P-C4' energy: -146.986
flat angles C4'-P-C4' energy: -118.831
flat angles P-C4'-P energy: -72.574
tors. eta vs tors. theta energy: 39.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -3060.813378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3060.813378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3060.813378 (E_RNA)
where:
Base-Base interactions energy: -2048.640
where: short stacking energy: -874.040
Base-Backbone interact. energy: -4.054
local terms energy: -1008.119376
where:
bonds (distance) C4'-P energy: -184.474
bonds (distance) P-C4' energy: -184.413
flat angles C4'-P-C4' energy: -220.841
flat angles P-C4'-P energy: -149.260
tors. eta vs tors. theta energy: -269.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2943.257847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.257847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.257847 (E_RNA)
where:
Base-Base interactions energy: -2016.010
where: short stacking energy: -854.967
Base-Backbone interact. energy: -4.198
local terms energy: -923.050310
where:
bonds (distance) C4'-P energy: -178.206
bonds (distance) P-C4' energy: -171.784
flat angles C4'-P-C4' energy: -188.925
flat angles P-C4'-P energy: -133.909
tors. eta vs tors. theta energy: -250.226
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: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2863.411027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.411027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.411027 (E_RNA)
where:
Base-Base interactions energy: -1935.421
where: short stacking energy: -834.102
Base-Backbone interact. energy: -6.694
local terms energy: -921.296111
where:
bonds (distance) C4'-P energy: -159.946
bonds (distance) P-C4' energy: -174.808
flat angles C4'-P-C4' energy: -197.369
flat angles P-C4'-P energy: -144.034
tors. eta vs tors. theta energy: -245.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2579.098931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.098931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.098931 (E_RNA)
where:
Base-Base interactions energy: -1748.627
where: short stacking energy: -733.361
Base-Backbone interact. energy: -3.097
local terms energy: -827.375060
where:
bonds (distance) C4'-P energy: -164.671
bonds (distance) P-C4' energy: -158.802
flat angles C4'-P-C4' energy: -172.954
flat angles P-C4'-P energy: -109.688
tors. eta vs tors. theta energy: -221.260
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: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2483.171562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.171562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.171562 (E_RNA)
where:
Base-Base interactions energy: -1647.444
where: short stacking energy: -710.456
Base-Backbone interact. energy: 1.471
local terms energy: -837.198789
where:
bonds (distance) C4'-P energy: -159.514
bonds (distance) P-C4' energy: -164.516
flat angles C4'-P-C4' energy: -164.814
flat angles P-C4'-P energy: -128.607
tors. eta vs tors. theta energy: -219.747
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: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2204.029744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.029744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.029744 (E_RNA)
where:
Base-Base interactions energy: -1424.450
where: short stacking energy: -627.765
Base-Backbone interact. energy: -3.694
local terms energy: -775.886378
where:
bonds (distance) C4'-P energy: -154.024
bonds (distance) P-C4' energy: -158.233
flat angles C4'-P-C4' energy: -169.761
flat angles P-C4'-P energy: -135.977
tors. eta vs tors. theta energy: -157.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1878.195286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.195286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.195286 (E_RNA)
where:
Base-Base interactions energy: -1189.626
where: short stacking energy: -536.982
Base-Backbone interact. energy: -0.854
local terms energy: -687.715972
where:
bonds (distance) C4'-P energy: -143.425
bonds (distance) P-C4' energy: -157.909
flat angles C4'-P-C4' energy: -170.616
flat angles P-C4'-P energy: -94.768
tors. eta vs tors. theta energy: -120.998
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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1527.742652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.742652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.742652 (E_RNA)
where:
Base-Base interactions energy: -959.735
where: short stacking energy: -408.903
Base-Backbone interact. energy: 4.490
local terms energy: -572.498078
where:
bonds (distance) C4'-P energy: -134.759
bonds (distance) P-C4' energy: -146.385
flat angles C4'-P-C4' energy: -137.141
flat angles P-C4'-P energy: -100.897
tors. eta vs tors. theta energy: -53.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -949.779127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.779127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.779127 (E_RNA)
where:
Base-Base interactions energy: -441.893
where: short stacking energy: -255.505
Base-Backbone interact. energy: 1.890
local terms energy: -509.776901
where:
bonds (distance) C4'-P energy: -147.726
bonds (distance) P-C4' energy: -136.572
flat angles C4'-P-C4' energy: -128.152
flat angles P-C4'-P energy: -104.434
tors. eta vs tors. theta energy: 7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -827.052649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.052649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.052649 (E_RNA)
where:
Base-Base interactions energy: -421.236
where: short stacking energy: -233.952
Base-Backbone interact. energy: 4.418
local terms energy: -410.234160
where:
bonds (distance) C4'-P energy: -147.388
bonds (distance) P-C4' energy: -137.871
flat angles C4'-P-C4' energy: -111.048
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: 20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -3067.547918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3067.547918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3067.547918 (E_RNA)
where:
Base-Base interactions energy: -2098.658
where: short stacking energy: -912.979
Base-Backbone interact. energy: -3.137
local terms energy: -965.752806
where:
bonds (distance) C4'-P energy: -198.562
bonds (distance) P-C4' energy: -174.174
flat angles C4'-P-C4' energy: -205.096
flat angles P-C4'-P energy: -126.012
tors. eta vs tors. theta energy: -261.909
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: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2934.607225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.607225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.607225 (E_RNA)
where:
Base-Base interactions energy: -1990.649
where: short stacking energy: -857.549
Base-Backbone interact. energy: -5.550
local terms energy: -938.408475
where:
bonds (distance) C4'-P energy: -169.241
bonds (distance) P-C4' energy: -173.501
flat angles C4'-P-C4' energy: -202.034
flat angles P-C4'-P energy: -139.326
tors. eta vs tors. theta energy: -254.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2799.091892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.091892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.091892 (E_RNA)
where:
Base-Base interactions energy: -1907.895
where: short stacking energy: -790.154
Base-Backbone interact. energy: 3.183
local terms energy: -894.379292
where:
bonds (distance) C4'-P energy: -167.738
bonds (distance) P-C4' energy: -167.575
flat angles C4'-P-C4' energy: -187.442
flat angles P-C4'-P energy: -130.250
tors. eta vs tors. theta energy: -241.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2564.752928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.752928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.752928 (E_RNA)
where:
Base-Base interactions energy: -1710.310
where: short stacking energy: -751.463
Base-Backbone interact. energy: -5.255
local terms energy: -849.187180
where:
bonds (distance) C4'-P energy: -162.700
bonds (distance) P-C4' energy: -178.631
flat angles C4'-P-C4' energy: -162.442
flat angles P-C4'-P energy: -137.522
tors. eta vs tors. theta energy: -207.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2528.624141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.624141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.624141 (E_RNA)
where:
Base-Base interactions energy: -1666.457
where: short stacking energy: -745.882
Base-Backbone interact. energy: -0.754
local terms energy: -861.413415
where:
bonds (distance) C4'-P energy: -164.042
bonds (distance) P-C4' energy: -181.017
flat angles C4'-P-C4' energy: -172.272
flat angles P-C4'-P energy: -120.654
tors. eta vs tors. theta energy: -223.428
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: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2187.927993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.927993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.927993 (E_RNA)
where:
Base-Base interactions energy: -1427.224
where: short stacking energy: -635.295
Base-Backbone interact. energy: -2.038
local terms energy: -758.666287
where:
bonds (distance) C4'-P energy: -150.616
bonds (distance) P-C4' energy: -164.121
flat angles C4'-P-C4' energy: -171.407
flat angles P-C4'-P energy: -110.196
tors. eta vs tors. theta energy: -162.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1858.117487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.117487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.117487 (E_RNA)
where:
Base-Base interactions energy: -1208.706
where: short stacking energy: -544.102
Base-Backbone interact. energy: -1.634
local terms energy: -647.777546
where:
bonds (distance) C4'-P energy: -151.047
bonds (distance) P-C4' energy: -146.241
flat angles C4'-P-C4' energy: -158.222
flat angles P-C4'-P energy: -91.943
tors. eta vs tors. theta energy: -100.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1576.153266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.153266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.153266 (E_RNA)
where:
Base-Base interactions energy: -1002.109
where: short stacking energy: -419.079
Base-Backbone interact. energy: 1.612
local terms energy: -575.656470
where:
bonds (distance) C4'-P energy: -137.639
bonds (distance) P-C4' energy: -144.784
flat angles C4'-P-C4' energy: -161.820
flat angles P-C4'-P energy: -74.982
tors. eta vs tors. theta energy: -56.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1004.368400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.368400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.368400 (E_RNA)
where:
Base-Base interactions energy: -501.163
where: short stacking energy: -300.170
Base-Backbone interact. energy: -2.797
local terms energy: -500.408445
where:
bonds (distance) C4'-P energy: -128.979
bonds (distance) P-C4' energy: -147.962
flat angles C4'-P-C4' energy: -136.778
flat angles P-C4'-P energy: -69.637
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -828.213095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.213095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.213095 (E_RNA)
where:
Base-Base interactions energy: -387.124
where: short stacking energy: -241.762
Base-Backbone interact. energy: 4.624
local terms energy: -445.713917
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -146.069
flat angles C4'-P-C4' energy: -121.690
flat angles P-C4'-P energy: -75.910
tors. eta vs tors. theta energy: 24.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -3069.884273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3069.884273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3069.884273 (E_RNA)
where:
Base-Base interactions energy: -2117.919
where: short stacking energy: -912.612
Base-Backbone interact. energy: -5.926
local terms energy: -946.039359
where:
bonds (distance) C4'-P energy: -167.490
bonds (distance) P-C4' energy: -172.455
flat angles C4'-P-C4' energy: -200.664
flat angles P-C4'-P energy: -149.184
tors. eta vs tors. theta energy: -256.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2983.371682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.371682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.371682 (E_RNA)
where:
Base-Base interactions energy: -2061.488
where: short stacking energy: -863.321
Base-Backbone interact. energy: -2.144
local terms energy: -919.740194
where:
bonds (distance) C4'-P energy: -174.242
bonds (distance) P-C4' energy: -154.842
flat angles C4'-P-C4' energy: -207.359
flat angles P-C4'-P energy: -133.253
tors. eta vs tors. theta energy: -250.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2812.081603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.081603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.081603 (E_RNA)
where:
Base-Base interactions energy: -1918.323
where: short stacking energy: -841.395
Base-Backbone interact. energy: -2.590
local terms energy: -891.169173
where:
bonds (distance) C4'-P energy: -157.537
bonds (distance) P-C4' energy: -169.834
flat angles C4'-P-C4' energy: -207.674
flat angles P-C4'-P energy: -123.203
tors. eta vs tors. theta energy: -232.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2580.576514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.576514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.576514 (E_RNA)
where:
Base-Base interactions energy: -1731.927
where: short stacking energy: -761.148
Base-Backbone interact. energy: -3.328
local terms energy: -845.320838
where:
bonds (distance) C4'-P energy: -181.701
bonds (distance) P-C4' energy: -168.222
flat angles C4'-P-C4' energy: -183.571
flat angles P-C4'-P energy: -108.450
tors. eta vs tors. theta energy: -203.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2528.260017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.260017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.260017 (E_RNA)
where:
Base-Base interactions energy: -1691.767
where: short stacking energy: -753.750
Base-Backbone interact. energy: -1.784
local terms energy: -834.709237
where:
bonds (distance) C4'-P energy: -146.986
bonds (distance) P-C4' energy: -172.680
flat angles C4'-P-C4' energy: -175.797
flat angles P-C4'-P energy: -113.162
tors. eta vs tors. theta energy: -226.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2108.322769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.322769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.322769 (E_RNA)
where:
Base-Base interactions energy: -1398.835
where: short stacking energy: -591.006
Base-Backbone interact. energy: 1.265
local terms energy: -710.753402
where:
bonds (distance) C4'-P energy: -134.632
bonds (distance) P-C4' energy: -177.261
flat angles C4'-P-C4' energy: -150.522
flat angles P-C4'-P energy: -95.319
tors. eta vs tors. theta energy: -153.019
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1855.625387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.625387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.625387 (E_RNA)
where:
Base-Base interactions energy: -1164.240
where: short stacking energy: -523.652
Base-Backbone interact. energy: -4.467
local terms energy: -686.918991
where:
bonds (distance) C4'-P energy: -144.646
bonds (distance) P-C4' energy: -161.583
flat angles C4'-P-C4' energy: -164.698
flat angles P-C4'-P energy: -123.329
tors. eta vs tors. theta energy: -92.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1632.117499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.117499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.117499 (E_RNA)
where:
Base-Base interactions energy: -1028.344
where: short stacking energy: -452.988
Base-Backbone interact. energy: -2.915
local terms energy: -600.858616
where:
bonds (distance) C4'-P energy: -137.052
bonds (distance) P-C4' energy: -153.518
flat angles C4'-P-C4' energy: -161.744
flat angles P-C4'-P energy: -76.178
tors. eta vs tors. theta energy: -72.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1000.153161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.153161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.153161 (E_RNA)
where:
Base-Base interactions energy: -501.701
where: short stacking energy: -306.741
Base-Backbone interact. energy: 5.136
local terms energy: -503.588325
where:
bonds (distance) C4'-P energy: -134.058
bonds (distance) P-C4' energy: -160.707
flat angles C4'-P-C4' energy: -132.562
flat angles P-C4'-P energy: -77.514
tors. eta vs tors. theta energy: 1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -890.019958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.019958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.019958 (E_RNA)
where:
Base-Base interactions energy: -372.871
where: short stacking energy: -249.160
Base-Backbone interact. energy: 10.205
local terms energy: -527.354159
where:
bonds (distance) C4'-P energy: -165.258
bonds (distance) P-C4' energy: -142.565
flat angles C4'-P-C4' energy: -126.345
flat angles P-C4'-P energy: -86.859
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -3096.154486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3096.154486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3096.154486 (E_RNA)
where:
Base-Base interactions energy: -2107.324
where: short stacking energy: -919.630
Base-Backbone interact. energy: -5.595
local terms energy: -983.235483
where:
bonds (distance) C4'-P energy: -179.453
bonds (distance) P-C4' energy: -178.197
flat angles C4'-P-C4' energy: -202.069
flat angles P-C4'-P energy: -145.540
tors. eta vs tors. theta energy: -277.977
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2983.206982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.206982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.206982 (E_RNA)
where:
Base-Base interactions energy: -2054.156
where: short stacking energy: -871.874
Base-Backbone interact. energy: -2.671
local terms energy: -926.379999
where:
bonds (distance) C4'-P energy: -157.176
bonds (distance) P-C4' energy: -190.242
flat angles C4'-P-C4' energy: -199.639
flat angles P-C4'-P energy: -120.287
tors. eta vs tors. theta energy: -259.037
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: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2790.765048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.765048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.765048 (E_RNA)
where:
Base-Base interactions energy: -1903.741
where: short stacking energy: -824.187
Base-Backbone interact. energy: -2.862
local terms energy: -884.162316
where:
bonds (distance) C4'-P energy: -177.465
bonds (distance) P-C4' energy: -173.500
flat angles C4'-P-C4' energy: -186.334
flat angles P-C4'-P energy: -114.480
tors. eta vs tors. theta energy: -232.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2571.224372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.224372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.224372 (E_RNA)
where:
Base-Base interactions energy: -1688.881
where: short stacking energy: -738.932
Base-Backbone interact. energy: 4.947
local terms energy: -887.290716
where:
bonds (distance) C4'-P energy: -173.770
bonds (distance) P-C4' energy: -180.014
flat angles C4'-P-C4' energy: -191.198
flat angles P-C4'-P energy: -114.892
tors. eta vs tors. theta energy: -227.416
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: 256
Temperature: 1.100000
Total energy: -2534.674307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.674307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.674307 (E_RNA)
where:
Base-Base interactions energy: -1667.961
where: short stacking energy: -783.681
Base-Backbone interact. energy: -1.747
local terms energy: -864.966164
where:
bonds (distance) C4'-P energy: -145.345
bonds (distance) P-C4' energy: -165.907
flat angles C4'-P-C4' energy: -173.222
flat angles P-C4'-P energy: -129.916
tors. eta vs tors. theta energy: -250.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2153.973778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.973778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.973778 (E_RNA)
where:
Base-Base interactions energy: -1406.584
where: short stacking energy: -638.924
Base-Backbone interact. energy: 0.064
local terms energy: -747.453650
where:
bonds (distance) C4'-P energy: -152.660
bonds (distance) P-C4' energy: -147.425
flat angles C4'-P-C4' energy: -181.035
flat angles P-C4'-P energy: -113.265
tors. eta vs tors. theta energy: -153.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1858.977333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.977333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.977333 (E_RNA)
where:
Base-Base interactions energy: -1158.832
where: short stacking energy: -526.585
Base-Backbone interact. energy: -3.300
local terms energy: -696.845629
where:
bonds (distance) C4'-P energy: -164.374
bonds (distance) P-C4' energy: -144.064
flat angles C4'-P-C4' energy: -181.086
flat angles P-C4'-P energy: -93.543
tors. eta vs tors. theta energy: -113.778
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: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1570.787381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.787381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.787381 (E_RNA)
where:
Base-Base interactions energy: -946.144
where: short stacking energy: -423.427
Base-Backbone interact. energy: 1.414
local terms energy: -626.056835
where:
bonds (distance) C4'-P energy: -151.951
bonds (distance) P-C4' energy: -159.969
flat angles C4'-P-C4' energy: -147.982
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -85.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -984.847763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.847763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.847763 (E_RNA)
where:
Base-Base interactions energy: -458.106
where: short stacking energy: -270.836
Base-Backbone interact. energy: -0.491
local terms energy: -526.250366
where:
bonds (distance) C4'-P energy: -134.084
bonds (distance) P-C4' energy: -147.820
flat angles C4'-P-C4' energy: -157.392
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -856.435696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.435696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.435696 (E_RNA)
where:
Base-Base interactions energy: -420.710
where: short stacking energy: -264.631
Base-Backbone interact. energy: 1.542
local terms energy: -437.267653
where:
bonds (distance) C4'-P energy: -131.653
bonds (distance) P-C4' energy: -144.058
flat angles C4'-P-C4' energy: -123.431
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: 13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -3093.899274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3093.899274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3093.899274 (E_RNA)
where:
Base-Base interactions energy: -2107.867
where: short stacking energy: -905.776
Base-Backbone interact. energy: -3.399
local terms energy: -982.632770
where:
bonds (distance) C4'-P energy: -178.668
bonds (distance) P-C4' energy: -191.866
flat angles C4'-P-C4' energy: -203.725
flat angles P-C4'-P energy: -128.149
tors. eta vs tors. theta energy: -280.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2949.149826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.149826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.149826 (E_RNA)
where:
Base-Base interactions energy: -1992.935
where: short stacking energy: -862.073
Base-Backbone interact. energy: -4.305
local terms energy: -951.909463
where:
bonds (distance) C4'-P energy: -189.919
bonds (distance) P-C4' energy: -166.234
flat angles C4'-P-C4' energy: -208.529
flat angles P-C4'-P energy: -134.421
tors. eta vs tors. theta energy: -252.808
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: 257
Temperature: 1.000000
Total energy: -2852.266887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.266887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.266887 (E_RNA)
where:
Base-Base interactions energy: -1926.235
where: short stacking energy: -852.991
Base-Backbone interact. energy: -5.520
local terms energy: -920.511526
where:
bonds (distance) C4'-P energy: -164.358
bonds (distance) P-C4' energy: -168.584
flat angles C4'-P-C4' energy: -199.607
flat angles P-C4'-P energy: -120.999
tors. eta vs tors. theta energy: -266.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2605.979892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.979892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.979892 (E_RNA)
where:
Base-Base interactions energy: -1727.431
where: short stacking energy: -782.181
Base-Backbone interact. energy: -3.053
local terms energy: -875.495522
where:
bonds (distance) C4'-P energy: -169.801
bonds (distance) P-C4' energy: -163.659
flat angles C4'-P-C4' energy: -182.255
flat angles P-C4'-P energy: -126.410
tors. eta vs tors. theta energy: -233.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2474.314710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.314710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.314710 (E_RNA)
where:
Base-Base interactions energy: -1652.930
where: short stacking energy: -714.626
Base-Backbone interact. energy: 3.668
local terms energy: -825.052134
where:
bonds (distance) C4'-P energy: -159.311
bonds (distance) P-C4' energy: -172.190
flat angles C4'-P-C4' energy: -187.699
flat angles P-C4'-P energy: -96.431
tors. eta vs tors. theta energy: -209.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2150.038683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.038683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.038683 (E_RNA)
where:
Base-Base interactions energy: -1388.392
where: short stacking energy: -614.061
Base-Backbone interact. energy: -3.892
local terms energy: -757.753801
where:
bonds (distance) C4'-P energy: -136.487
bonds (distance) P-C4' energy: -174.330
flat angles C4'-P-C4' energy: -168.291
flat angles P-C4'-P energy: -122.193
tors. eta vs tors. theta energy: -156.452
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1879.428994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.428994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.428994 (E_RNA)
where:
Base-Base interactions energy: -1184.150
where: short stacking energy: -551.097
Base-Backbone interact. energy: 0.508
local terms energy: -695.786642
where:
bonds (distance) C4'-P energy: -156.211
bonds (distance) P-C4' energy: -158.451
flat angles C4'-P-C4' energy: -160.562
flat angles P-C4'-P energy: -93.560
tors. eta vs tors. theta energy: -127.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1620.181013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.181013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.181013 (E_RNA)
where:
Base-Base interactions energy: -1018.637
where: short stacking energy: -465.444
Base-Backbone interact. energy: -4.099
local terms energy: -597.445201
where:
bonds (distance) C4'-P energy: -135.986
bonds (distance) P-C4' energy: -124.130
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -91.623
tors. eta vs tors. theta energy: -91.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -996.144598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.144598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.144598 (E_RNA)
where:
Base-Base interactions energy: -483.372
where: short stacking energy: -282.379
Base-Backbone interact. energy: 1.574
local terms energy: -514.346625
where:
bonds (distance) C4'-P energy: -135.290
bonds (distance) P-C4' energy: -156.512
flat angles C4'-P-C4' energy: -136.460
flat angles P-C4'-P energy: -70.458
tors. eta vs tors. theta energy: -15.627
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: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -830.971735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.971735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.971735 (E_RNA)
where:
Base-Base interactions energy: -399.306
where: short stacking energy: -241.168
Base-Backbone interact. energy: -2.189
local terms energy: -429.476869
where:
bonds (distance) C4'-P energy: -136.561
bonds (distance) P-C4' energy: -147.682
flat angles C4'-P-C4' energy: -116.195
flat angles P-C4'-P energy: -59.506
tors. eta vs tors. theta energy: 30.466
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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -3103.511213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3103.511213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3103.511213 (E_RNA)
where:
Base-Base interactions energy: -2120.074
where: short stacking energy: -920.630
Base-Backbone interact. energy: -5.920
local terms energy: -977.517017
where:
bonds (distance) C4'-P energy: -193.470
bonds (distance) P-C4' energy: -186.856
flat angles C4'-P-C4' energy: -198.231
flat angles P-C4'-P energy: -127.333
tors. eta vs tors. theta energy: -271.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2950.898573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.898573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.898573 (E_RNA)
where:
Base-Base interactions energy: -2021.957
where: short stacking energy: -854.853
Base-Backbone interact. energy: -2.001
local terms energy: -926.940618
where:
bonds (distance) C4'-P energy: -175.763
bonds (distance) P-C4' energy: -182.974
flat angles C4'-P-C4' energy: -187.617
flat angles P-C4'-P energy: -138.737
tors. eta vs tors. theta energy: -241.850
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: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2826.961414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.961414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.961414 (E_RNA)
where:
Base-Base interactions energy: -1939.991
where: short stacking energy: -808.797
Base-Backbone interact. energy: -5.762
local terms energy: -881.208908
where:
bonds (distance) C4'-P energy: -160.823
bonds (distance) P-C4' energy: -180.854
flat angles C4'-P-C4' energy: -185.706
flat angles P-C4'-P energy: -120.625
tors. eta vs tors. theta energy: -233.201
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2595.354399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.354399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.354399 (E_RNA)
where:
Base-Base interactions energy: -1698.615
where: short stacking energy: -773.722
Base-Backbone interact. energy: -0.890
local terms energy: -895.849114
where:
bonds (distance) C4'-P energy: -169.374
bonds (distance) P-C4' energy: -165.060
flat angles C4'-P-C4' energy: -206.207
flat angles P-C4'-P energy: -112.420
tors. eta vs tors. theta energy: -242.789
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: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2438.870825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.870825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.870825 (E_RNA)
where:
Base-Base interactions energy: -1693.360
where: short stacking energy: -683.413
Base-Backbone interact. energy: -1.090
local terms energy: -744.421569
where:
bonds (distance) C4'-P energy: -146.431
bonds (distance) P-C4' energy: -146.072
flat angles C4'-P-C4' energy: -171.379
flat angles P-C4'-P energy: -92.277
tors. eta vs tors. theta energy: -188.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2070.098792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.098792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.098792 (E_RNA)
where:
Base-Base interactions energy: -1340.410
where: short stacking energy: -610.918
Base-Backbone interact. energy: -3.663
local terms energy: -726.026113
where:
bonds (distance) C4'-P energy: -156.170
bonds (distance) P-C4' energy: -154.632
flat angles C4'-P-C4' energy: -172.228
flat angles P-C4'-P energy: -85.760
tors. eta vs tors. theta energy: -157.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1878.284058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.284058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.284058 (E_RNA)
where:
Base-Base interactions energy: -1177.953
where: short stacking energy: -539.127
Base-Backbone interact. energy: -3.577
local terms energy: -696.754556
where:
bonds (distance) C4'-P energy: -151.096
bonds (distance) P-C4' energy: -161.894
flat angles C4'-P-C4' energy: -165.914
flat angles P-C4'-P energy: -89.081
tors. eta vs tors. theta energy: -128.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1640.794909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.794909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.794909 (E_RNA)
where:
Base-Base interactions energy: -1036.968
where: short stacking energy: -461.221
Base-Backbone interact. energy: -4.114
local terms energy: -599.712857
where:
bonds (distance) C4'-P energy: -140.408
bonds (distance) P-C4' energy: -159.061
flat angles C4'-P-C4' energy: -148.870
flat angles P-C4'-P energy: -86.907
tors. eta vs tors. theta energy: -64.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -978.552490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.552490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.552490 (E_RNA)
where:
Base-Base interactions energy: -473.542
where: short stacking energy: -316.321
Base-Backbone interact. energy: -1.214
local terms energy: -503.797261
where:
bonds (distance) C4'-P energy: -125.961
bonds (distance) P-C4' energy: -150.237
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -75.189
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -804.230039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.230039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.230039 (E_RNA)
where:
Base-Base interactions energy: -357.174
where: short stacking energy: -220.057
Base-Backbone interact. energy: 5.673
local terms energy: -452.729448
where:
bonds (distance) C4'-P energy: -129.261
bonds (distance) P-C4' energy: -148.888
flat angles C4'-P-C4' energy: -128.040
flat angles P-C4'-P energy: -68.022
tors. eta vs tors. theta energy: 21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -3057.471298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3057.471298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3057.471298 (E_RNA)
where:
Base-Base interactions energy: -2064.742
where: short stacking energy: -897.279
Base-Backbone interact. energy: 0.251
local terms energy: -992.980721
where:
bonds (distance) C4'-P energy: -172.203
bonds (distance) P-C4' energy: -188.010
flat angles C4'-P-C4' energy: -200.707
flat angles P-C4'-P energy: -156.357
tors. eta vs tors. theta energy: -275.704
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: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2918.692280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.692280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.692280 (E_RNA)
where:
Base-Base interactions energy: -1976.592
where: short stacking energy: -853.716
Base-Backbone interact. energy: -7.051
local terms energy: -935.049037
where:
bonds (distance) C4'-P energy: -160.394
bonds (distance) P-C4' energy: -190.693
flat angles C4'-P-C4' energy: -209.615
flat angles P-C4'-P energy: -128.472
tors. eta vs tors. theta energy: -245.875
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: 259
Temperature: 1.000000
Total energy: -2843.649893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.649893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.649893 (E_RNA)
where:
Base-Base interactions energy: -1960.937
where: short stacking energy: -822.519
Base-Backbone interact. energy: -7.294
local terms energy: -875.419418
where:
bonds (distance) C4'-P energy: -168.096
bonds (distance) P-C4' energy: -155.292
flat angles C4'-P-C4' energy: -189.191
flat angles P-C4'-P energy: -129.060
tors. eta vs tors. theta energy: -233.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2589.793193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.793193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.793193 (E_RNA)
where:
Base-Base interactions energy: -1703.751
where: short stacking energy: -779.514
Base-Backbone interact. energy: 0.437
local terms energy: -886.478808
where:
bonds (distance) C4'-P energy: -158.759
bonds (distance) P-C4' energy: -171.054
flat angles C4'-P-C4' energy: -189.263
flat angles P-C4'-P energy: -138.278
tors. eta vs tors. theta energy: -229.125
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: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2374.549411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.549411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.549411 (E_RNA)
where:
Base-Base interactions energy: -1572.320
where: short stacking energy: -690.037
Base-Backbone interact. energy: -3.949
local terms energy: -798.279891
where:
bonds (distance) C4'-P energy: -161.419
bonds (distance) P-C4' energy: -163.231
flat angles C4'-P-C4' energy: -198.111
flat angles P-C4'-P energy: -93.650
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: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2055.100488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.100488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.100488 (E_RNA)
where:
Base-Base interactions energy: -1312.039
where: short stacking energy: -596.522
Base-Backbone interact. energy: 1.990
local terms energy: -745.051587
where:
bonds (distance) C4'-P energy: -158.624
bonds (distance) P-C4' energy: -179.235
flat angles C4'-P-C4' energy: -161.157
flat angles P-C4'-P energy: -98.728
tors. eta vs tors. theta energy: -147.308
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1788.794739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.794739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.794739 (E_RNA)
where:
Base-Base interactions energy: -1144.545
where: short stacking energy: -489.247
Base-Backbone interact. energy: -5.664
local terms energy: -638.585897
where:
bonds (distance) C4'-P energy: -148.329
bonds (distance) P-C4' energy: -159.653
flat angles C4'-P-C4' energy: -139.890
flat angles P-C4'-P energy: -98.672
tors. eta vs tors. theta energy: -92.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1511.177654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.177654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.177654 (E_RNA)
where:
Base-Base interactions energy: -920.194
where: short stacking energy: -437.989
Base-Backbone interact. energy: 1.827
local terms energy: -592.810047
where:
bonds (distance) C4'-P energy: -160.671
bonds (distance) P-C4' energy: -161.990
flat angles C4'-P-C4' energy: -147.427
flat angles P-C4'-P energy: -64.808
tors. eta vs tors. theta energy: -57.915
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: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -973.120068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.120068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.120068 (E_RNA)
where:
Base-Base interactions energy: -468.418
where: short stacking energy: -285.150
Base-Backbone interact. energy: 0.141
local terms energy: -504.843438
where:
bonds (distance) C4'-P energy: -145.151
bonds (distance) P-C4' energy: -148.876
flat angles C4'-P-C4' energy: -133.990
flat angles P-C4'-P energy: -80.709
tors. eta vs tors. theta energy: 3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -854.312258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.312258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.312258 (E_RNA)
where:
Base-Base interactions energy: -412.200
where: short stacking energy: -217.780
Base-Backbone interact. energy: 4.247
local terms energy: -446.359000
where:
bonds (distance) C4'-P energy: -141.778
bonds (distance) P-C4' energy: -144.127
flat angles C4'-P-C4' energy: -121.706
flat angles P-C4'-P energy: -64.886
tors. eta vs tors. theta energy: 26.138
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: 260
Temperature: 0.900000
Total energy: -3049.894798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.894798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.894798 (E_RNA)
where:
Base-Base interactions energy: -2072.131
where: short stacking energy: -885.665
Base-Backbone interact. energy: -4.996
local terms energy: -972.768374
where:
bonds (distance) C4'-P energy: -189.750
bonds (distance) P-C4' energy: -174.015
flat angles C4'-P-C4' energy: -209.834
flat angles P-C4'-P energy: -136.998
tors. eta vs tors. theta energy: -262.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2950.429131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.429131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.429131 (E_RNA)
where:
Base-Base interactions energy: -1994.189
where: short stacking energy: -831.147
Base-Backbone interact. energy: -6.887
local terms energy: -949.353692
where:
bonds (distance) C4'-P energy: -191.516
bonds (distance) P-C4' energy: -168.344
flat angles C4'-P-C4' energy: -196.919
flat angles P-C4'-P energy: -140.006
tors. eta vs tors. theta energy: -252.570
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: 260
Temperature: 1.000000
Total energy: -2817.666223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.666223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.666223 (E_RNA)
where:
Base-Base interactions energy: -1952.395
where: short stacking energy: -812.933
Base-Backbone interact. energy: -4.257
local terms energy: -861.014423
where:
bonds (distance) C4'-P energy: -164.177
bonds (distance) P-C4' energy: -173.238
flat angles C4'-P-C4' energy: -187.694
flat angles P-C4'-P energy: -105.537
tors. eta vs tors. theta energy: -230.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2577.296154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.296154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.296154 (E_RNA)
where:
Base-Base interactions energy: -1709.396
where: short stacking energy: -796.666
Base-Backbone interact. energy: -3.175
local terms energy: -864.725472
where:
bonds (distance) C4'-P energy: -159.752
bonds (distance) P-C4' energy: -166.920
flat angles C4'-P-C4' energy: -190.172
flat angles P-C4'-P energy: -126.289
tors. eta vs tors. theta energy: -221.593
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: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2355.644931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.644931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.644931 (E_RNA)
where:
Base-Base interactions energy: -1581.840
where: short stacking energy: -660.831
Base-Backbone interact. energy: 1.514
local terms energy: -775.319271
where:
bonds (distance) C4'-P energy: -147.603
bonds (distance) P-C4' energy: -153.907
flat angles C4'-P-C4' energy: -187.144
flat angles P-C4'-P energy: -109.249
tors. eta vs tors. theta energy: -177.417
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: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2155.326456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.326456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.326456 (E_RNA)
where:
Base-Base interactions energy: -1408.255
where: short stacking energy: -616.865
Base-Backbone interact. energy: -1.435
local terms energy: -745.636016
where:
bonds (distance) C4'-P energy: -150.921
bonds (distance) P-C4' energy: -162.101
flat angles C4'-P-C4' energy: -170.242
flat angles P-C4'-P energy: -117.673
tors. eta vs tors. theta energy: -144.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1817.471847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.471847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.471847 (E_RNA)
where:
Base-Base interactions energy: -1168.810
where: short stacking energy: -531.342
Base-Backbone interact. energy: -4.239
local terms energy: -644.422935
where:
bonds (distance) C4'-P energy: -152.676
bonds (distance) P-C4' energy: -167.140
flat angles C4'-P-C4' energy: -167.232
flat angles P-C4'-P energy: -76.207
tors. eta vs tors. theta energy: -81.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1503.644842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.644842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.644842 (E_RNA)
where:
Base-Base interactions energy: -929.172
where: short stacking energy: -459.529
Base-Backbone interact. energy: -3.576
local terms energy: -570.897517
where:
bonds (distance) C4'-P energy: -136.833
bonds (distance) P-C4' energy: -164.543
flat angles C4'-P-C4' energy: -135.380
flat angles P-C4'-P energy: -72.791
tors. eta vs tors. theta energy: -61.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -956.975746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.975746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.975746 (E_RNA)
where:
Base-Base interactions energy: -450.896
where: short stacking energy: -286.242
Base-Backbone interact. energy: 11.158
local terms energy: -517.237505
where:
bonds (distance) C4'-P energy: -133.388
bonds (distance) P-C4' energy: -148.275
flat angles C4'-P-C4' energy: -159.701
flat angles P-C4'-P energy: -80.906
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -811.783792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.783792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.783792 (E_RNA)
where:
Base-Base interactions energy: -388.606
where: short stacking energy: -228.831
Base-Backbone interact. energy: 8.922
local terms energy: -432.099887
where:
bonds (distance) C4'-P energy: -121.576
bonds (distance) P-C4' energy: -141.816
flat angles C4'-P-C4' energy: -145.371
flat angles P-C4'-P energy: -66.059
tors. eta vs tors. theta energy: 42.722
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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -3089.511399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3089.511399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3089.511399 (E_RNA)
where:
Base-Base interactions energy: -2112.989
where: short stacking energy: -911.996
Base-Backbone interact. energy: -4.674
local terms energy: -971.848352
where:
bonds (distance) C4'-P energy: -176.210
bonds (distance) P-C4' energy: -175.541
flat angles C4'-P-C4' energy: -211.815
flat angles P-C4'-P energy: -135.528
tors. eta vs tors. theta energy: -272.754
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: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2915.742302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.742302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.742302 (E_RNA)
where:
Base-Base interactions energy: -1969.531
where: short stacking energy: -855.602
Base-Backbone interact. energy: -1.041
local terms energy: -945.169953
where:
bonds (distance) C4'-P energy: -175.609
bonds (distance) P-C4' energy: -169.358
flat angles C4'-P-C4' energy: -214.350
flat angles P-C4'-P energy: -124.107
tors. eta vs tors. theta energy: -261.746
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: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2791.503608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.503608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.503608 (E_RNA)
where:
Base-Base interactions energy: -1898.681
where: short stacking energy: -830.373
Base-Backbone interact. energy: -2.928
local terms energy: -889.895262
where:
bonds (distance) C4'-P energy: -172.191
bonds (distance) P-C4' energy: -164.786
flat angles C4'-P-C4' energy: -197.765
flat angles P-C4'-P energy: -118.553
tors. eta vs tors. theta energy: -236.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2607.836304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.836304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.836304 (E_RNA)
where:
Base-Base interactions energy: -1718.931
where: short stacking energy: -800.628
Base-Backbone interact. energy: -2.901
local terms energy: -886.003807
where:
bonds (distance) C4'-P energy: -165.671
bonds (distance) P-C4' energy: -166.271
flat angles C4'-P-C4' energy: -180.811
flat angles P-C4'-P energy: -140.857
tors. eta vs tors. theta energy: -232.393
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: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2416.723805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.723805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.723805 (E_RNA)
where:
Base-Base interactions energy: -1625.734
where: short stacking energy: -677.946
Base-Backbone interact. energy: -3.726
local terms energy: -787.263873
where:
bonds (distance) C4'-P energy: -141.983
bonds (distance) P-C4' energy: -162.620
flat angles C4'-P-C4' energy: -179.037
flat angles P-C4'-P energy: -107.755
tors. eta vs tors. theta energy: -195.869
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: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2199.354508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.354508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.354508 (E_RNA)
where:
Base-Base interactions energy: -1482.045
where: short stacking energy: -643.531
Base-Backbone interact. energy: -4.504
local terms energy: -712.804950
where:
bonds (distance) C4'-P energy: -134.533
bonds (distance) P-C4' energy: -143.313
flat angles C4'-P-C4' energy: -170.665
flat angles P-C4'-P energy: -102.358
tors. eta vs tors. theta energy: -161.937
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: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1823.637726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.637726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.637726 (E_RNA)
where:
Base-Base interactions energy: -1158.944
where: short stacking energy: -488.926
Base-Backbone interact. energy: -2.940
local terms energy: -661.754051
where:
bonds (distance) C4'-P energy: -152.622
bonds (distance) P-C4' energy: -167.627
flat angles C4'-P-C4' energy: -144.957
flat angles P-C4'-P energy: -97.811
tors. eta vs tors. theta energy: -98.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1467.174514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.174514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.174514 (E_RNA)
where:
Base-Base interactions energy: -907.217
where: short stacking energy: -422.949
Base-Backbone interact. energy: -1.873
local terms energy: -558.084305
where:
bonds (distance) C4'-P energy: -127.906
bonds (distance) P-C4' energy: -145.993
flat angles C4'-P-C4' energy: -127.460
flat angles P-C4'-P energy: -95.166
tors. eta vs tors. theta energy: -61.560
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -931.375833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.375833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.375833 (E_RNA)
where:
Base-Base interactions energy: -438.375
where: short stacking energy: -279.906
Base-Backbone interact. energy: 7.802
local terms energy: -500.802754
where:
bonds (distance) C4'-P energy: -143.282
bonds (distance) P-C4' energy: -144.771
flat angles C4'-P-C4' energy: -157.908
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -825.020529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.020529 (E_RNA)
where:
Base-Base interactions energy: -345.256
where: short stacking energy: -220.141
Base-Backbone interact. energy: 7.342
local terms energy: -487.106879
where:
bonds (distance) C4'-P energy: -140.034
bonds (distance) P-C4' energy: -152.800
flat angles C4'-P-C4' energy: -138.052
flat angles P-C4'-P energy: -69.640
tors. eta vs tors. theta energy: 13.419
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: 262
Temperature: 0.900000
Total energy: -3091.946229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3091.946229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3091.946229 (E_RNA)
where:
Base-Base interactions energy: -2113.086
where: short stacking energy: -905.069
Base-Backbone interact. energy: -0.653
local terms energy: -978.207281
where:
bonds (distance) C4'-P energy: -189.511
bonds (distance) P-C4' energy: -183.917
flat angles C4'-P-C4' energy: -208.382
flat angles P-C4'-P energy: -122.612
tors. eta vs tors. theta energy: -273.785
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: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2981.165354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.165354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.165354 (E_RNA)
where:
Base-Base interactions energy: -2034.390
where: short stacking energy: -889.106
Base-Backbone interact. energy: -4.957
local terms energy: -941.818318
where:
bonds (distance) C4'-P energy: -170.070
bonds (distance) P-C4' energy: -160.435
flat angles C4'-P-C4' energy: -208.426
flat angles P-C4'-P energy: -133.724
tors. eta vs tors. theta energy: -269.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2819.036198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.036198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.036198 (E_RNA)
where:
Base-Base interactions energy: -1924.403
where: short stacking energy: -805.438
Base-Backbone interact. energy: -5.143
local terms energy: -889.490619
where:
bonds (distance) C4'-P energy: -150.716
bonds (distance) P-C4' energy: -176.243
flat angles C4'-P-C4' energy: -192.120
flat angles P-C4'-P energy: -129.167
tors. eta vs tors. theta energy: -241.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2562.732194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.732194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.732194 (E_RNA)
where:
Base-Base interactions energy: -1711.296
where: short stacking energy: -777.721
Base-Backbone interact. energy: -2.292
local terms energy: -849.143818
where:
bonds (distance) C4'-P energy: -171.256
bonds (distance) P-C4' energy: -142.125
flat angles C4'-P-C4' energy: -191.529
flat angles P-C4'-P energy: -120.449
tors. eta vs tors. theta energy: -223.785
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: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2338.627142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.627142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.627142 (E_RNA)
where:
Base-Base interactions energy: -1541.572
where: short stacking energy: -672.116
Base-Backbone interact. energy: -4.247
local terms energy: -792.808597
where:
bonds (distance) C4'-P energy: -150.592
bonds (distance) P-C4' energy: -161.737
flat angles C4'-P-C4' energy: -188.781
flat angles P-C4'-P energy: -100.988
tors. eta vs tors. theta energy: -190.711
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: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2149.507733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.507733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.507733 (E_RNA)
where:
Base-Base interactions energy: -1415.737
where: short stacking energy: -637.938
Base-Backbone interact. energy: -0.656
local terms energy: -733.114734
where:
bonds (distance) C4'-P energy: -136.018
bonds (distance) P-C4' energy: -162.083
flat angles C4'-P-C4' energy: -172.273
flat angles P-C4'-P energy: -109.230
tors. eta vs tors. theta energy: -153.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1910.645338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.645338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.645338 (E_RNA)
where:
Base-Base interactions energy: -1217.282
where: short stacking energy: -547.979
Base-Backbone interact. energy: -3.152
local terms energy: -690.211610
where:
bonds (distance) C4'-P energy: -153.787
bonds (distance) P-C4' energy: -171.678
flat angles C4'-P-C4' energy: -146.484
flat angles P-C4'-P energy: -96.384
tors. eta vs tors. theta energy: -121.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1619.649372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.649372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.649372 (E_RNA)
where:
Base-Base interactions energy: -1005.744
where: short stacking energy: -480.745
Base-Backbone interact. energy: -3.628
local terms energy: -610.277798
where:
bonds (distance) C4'-P energy: -134.394
bonds (distance) P-C4' energy: -148.749
flat angles C4'-P-C4' energy: -145.789
flat angles P-C4'-P energy: -101.435
tors. eta vs tors. theta energy: -79.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -970.903656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.903656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.903656 (E_RNA)
where:
Base-Base interactions energy: -473.752
where: short stacking energy: -286.870
Base-Backbone interact. energy: 3.645
local terms energy: -500.796437
where:
bonds (distance) C4'-P energy: -127.038
bonds (distance) P-C4' energy: -161.618
flat angles C4'-P-C4' energy: -119.018
flat angles P-C4'-P energy: -101.667
tors. eta vs tors. theta energy: 8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -860.027392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.027392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.027392 (E_RNA)
where:
Base-Base interactions energy: -427.832
where: short stacking energy: -258.465
Base-Backbone interact. energy: 3.684
local terms energy: -435.879764
where:
bonds (distance) C4'-P energy: -120.850
bonds (distance) P-C4' energy: -151.590
flat angles C4'-P-C4' energy: -134.414
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: 17.759
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: 263
Temperature: 0.900000
Total energy: -3075.029281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3075.029281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3075.029281 (E_RNA)
where:
Base-Base interactions energy: -2103.876
where: short stacking energy: -911.846
Base-Backbone interact. energy: -3.061
local terms energy: -968.091824
where:
bonds (distance) C4'-P energy: -183.418
bonds (distance) P-C4' energy: -163.401
flat angles C4'-P-C4' energy: -215.252
flat angles P-C4'-P energy: -138.720
tors. eta vs tors. theta energy: -267.300
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2934.398816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.398816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.398816 (E_RNA)
where:
Base-Base interactions energy: -2007.702
where: short stacking energy: -870.829
Base-Backbone interact. energy: 0.609
local terms energy: -927.305437
where:
bonds (distance) C4'-P energy: -175.046
bonds (distance) P-C4' energy: -169.479
flat angles C4'-P-C4' energy: -186.090
flat angles P-C4'-P energy: -145.937
tors. eta vs tors. theta energy: -250.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2805.847276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.847276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.847276 (E_RNA)
where:
Base-Base interactions energy: -1942.497
where: short stacking energy: -803.889
Base-Backbone interact. energy: -4.379
local terms energy: -858.970561
where:
bonds (distance) C4'-P energy: -151.335
bonds (distance) P-C4' energy: -158.112
flat angles C4'-P-C4' energy: -184.399
flat angles P-C4'-P energy: -133.226
tors. eta vs tors. theta energy: -231.898
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: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2600.942916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.942916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.942916 (E_RNA)
where:
Base-Base interactions energy: -1751.565
where: short stacking energy: -758.136
Base-Backbone interact. energy: -2.893
local terms energy: -846.485201
where:
bonds (distance) C4'-P energy: -157.708
bonds (distance) P-C4' energy: -150.606
flat angles C4'-P-C4' energy: -176.429
flat angles P-C4'-P energy: -125.722
tors. eta vs tors. theta energy: -236.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2390.161544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.161544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.161544 (E_RNA)
where:
Base-Base interactions energy: -1609.902
where: short stacking energy: -695.089
Base-Backbone interact. energy: 0.824
local terms energy: -781.082852
where:
bonds (distance) C4'-P energy: -141.858
bonds (distance) P-C4' energy: -168.678
flat angles C4'-P-C4' energy: -173.334
flat angles P-C4'-P energy: -97.501
tors. eta vs tors. theta energy: -199.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2156.588602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.588602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.588602 (E_RNA)
where:
Base-Base interactions energy: -1399.308
where: short stacking energy: -608.858
Base-Backbone interact. energy: -2.326
local terms energy: -754.954284
where:
bonds (distance) C4'-P energy: -157.072
bonds (distance) P-C4' energy: -160.454
flat angles C4'-P-C4' energy: -160.294
flat angles P-C4'-P energy: -117.946
tors. eta vs tors. theta energy: -159.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1871.484954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.484954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.484954 (E_RNA)
where:
Base-Base interactions energy: -1230.420
where: short stacking energy: -543.813
Base-Backbone interact. energy: 4.389
local terms energy: -645.454222
where:
bonds (distance) C4'-P energy: -156.205
bonds (distance) P-C4' energy: -146.969
flat angles C4'-P-C4' energy: -154.034
flat angles P-C4'-P energy: -90.496
tors. eta vs tors. theta energy: -97.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1465.267648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.267648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.267648 (E_RNA)
where:
Base-Base interactions energy: -871.869
where: short stacking energy: -404.255
Base-Backbone interact. energy: 1.117
local terms energy: -594.515733
where:
bonds (distance) C4'-P energy: -150.731
bonds (distance) P-C4' energy: -141.464
flat angles C4'-P-C4' energy: -144.964
flat angles P-C4'-P energy: -96.323
tors. eta vs tors. theta energy: -61.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1024.002622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.002622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.002622 (E_RNA)
where:
Base-Base interactions energy: -530.308
where: short stacking energy: -297.735
Base-Backbone interact. energy: 8.182
local terms energy: -501.876999
where:
bonds (distance) C4'-P energy: -98.357
bonds (distance) P-C4' energy: -168.863
flat angles C4'-P-C4' energy: -141.392
flat angles P-C4'-P energy: -74.936
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -860.324451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.324451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.324451 (E_RNA)
where:
Base-Base interactions energy: -368.591
where: short stacking energy: -222.357
Base-Backbone interact. energy: -3.226
local terms energy: -488.507625
where:
bonds (distance) C4'-P energy: -143.832
bonds (distance) P-C4' energy: -157.390
flat angles C4'-P-C4' energy: -118.800
flat angles P-C4'-P energy: -94.004
tors. eta vs tors. theta energy: 25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -3076.020817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3076.020817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3076.020817 (E_RNA)
where:
Base-Base interactions energy: -2111.432
where: short stacking energy: -907.313
Base-Backbone interact. energy: -4.802
local terms energy: -959.787220
where:
bonds (distance) C4'-P energy: -181.392
bonds (distance) P-C4' energy: -183.559
flat angles C4'-P-C4' energy: -202.787
flat angles P-C4'-P energy: -121.474
tors. eta vs tors. theta energy: -270.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2889.758506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.758506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.758506 (E_RNA)
where:
Base-Base interactions energy: -1948.845
where: short stacking energy: -838.029
Base-Backbone interact. energy: -8.035
local terms energy: -932.878409
where:
bonds (distance) C4'-P energy: -175.265
bonds (distance) P-C4' energy: -166.869
flat angles C4'-P-C4' energy: -198.292
flat angles P-C4'-P energy: -137.406
tors. eta vs tors. theta energy: -255.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2829.738257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.738257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.738257 (E_RNA)
where:
Base-Base interactions energy: -1910.720
where: short stacking energy: -812.594
Base-Backbone interact. energy: -2.262
local terms energy: -916.755775
where:
bonds (distance) C4'-P energy: -185.310
bonds (distance) P-C4' energy: -176.081
flat angles C4'-P-C4' energy: -192.866
flat angles P-C4'-P energy: -128.045
tors. eta vs tors. theta energy: -234.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2594.567018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.567018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.567018 (E_RNA)
where:
Base-Base interactions energy: -1734.066
where: short stacking energy: -776.323
Base-Backbone interact. energy: -2.104
local terms energy: -858.397025
where:
bonds (distance) C4'-P energy: -148.462
bonds (distance) P-C4' energy: -180.693
flat angles C4'-P-C4' energy: -187.851
flat angles P-C4'-P energy: -115.335
tors. eta vs tors. theta energy: -226.055
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: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2347.659523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.659523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.659523 (E_RNA)
where:
Base-Base interactions energy: -1522.783
where: short stacking energy: -640.972
Base-Backbone interact. energy: -2.440
local terms energy: -822.436545
where:
bonds (distance) C4'-P energy: -173.542
bonds (distance) P-C4' energy: -158.101
flat angles C4'-P-C4' energy: -178.225
flat angles P-C4'-P energy: -123.224
tors. eta vs tors. theta energy: -189.345
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: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2132.844783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.844783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.844783 (E_RNA)
where:
Base-Base interactions energy: -1372.884
where: short stacking energy: -586.741
Base-Backbone interact. energy: -0.869
local terms energy: -759.092118
where:
bonds (distance) C4'-P energy: -144.419
bonds (distance) P-C4' energy: -155.972
flat angles C4'-P-C4' energy: -181.992
flat angles P-C4'-P energy: -114.241
tors. eta vs tors. theta energy: -162.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1789.521039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.521039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.521039 (E_RNA)
where:
Base-Base interactions energy: -1125.462
where: short stacking energy: -497.728
Base-Backbone interact. energy: -0.599
local terms energy: -663.459713
where:
bonds (distance) C4'-P energy: -158.469
bonds (distance) P-C4' energy: -166.596
flat angles C4'-P-C4' energy: -158.664
flat angles P-C4'-P energy: -96.349
tors. eta vs tors. theta energy: -83.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1493.477761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.477761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.477761 (E_RNA)
where:
Base-Base interactions energy: -895.388
where: short stacking energy: -420.272
Base-Backbone interact. energy: 1.807
local terms energy: -599.897267
where:
bonds (distance) C4'-P energy: -139.909
bonds (distance) P-C4' energy: -152.106
flat angles C4'-P-C4' energy: -141.409
flat angles P-C4'-P energy: -107.232
tors. eta vs tors. theta energy: -59.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1021.388113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.388113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.388113 (E_RNA)
where:
Base-Base interactions energy: -521.290
where: short stacking energy: -299.070
Base-Backbone interact. energy: 2.311
local terms energy: -502.408413
where:
bonds (distance) C4'-P energy: -127.605
bonds (distance) P-C4' energy: -146.082
flat angles C4'-P-C4' energy: -133.682
flat angles P-C4'-P energy: -86.342
tors. eta vs tors. theta energy: -8.697
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: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -908.835914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.835914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.835914 (E_RNA)
where:
Base-Base interactions energy: -453.408
where: short stacking energy: -242.588
Base-Backbone interact. energy: 1.402
local terms energy: -456.830024
where:
bonds (distance) C4'-P energy: -115.768
bonds (distance) P-C4' energy: -159.706
flat angles C4'-P-C4' energy: -137.963
flat angles P-C4'-P energy: -59.245
tors. eta vs tors. theta energy: 15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -3063.047526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3063.047526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3063.047526 (E_RNA)
where:
Base-Base interactions energy: -2103.387
where: short stacking energy: -916.636
Base-Backbone interact. energy: -3.507
local terms energy: -956.153580
where:
bonds (distance) C4'-P energy: -178.359
bonds (distance) P-C4' energy: -180.079
flat angles C4'-P-C4' energy: -202.931
flat angles P-C4'-P energy: -128.539
tors. eta vs tors. theta energy: -266.245
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: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2888.907886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.907886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.907886 (E_RNA)
where:
Base-Base interactions energy: -1953.897
where: short stacking energy: -829.161
Base-Backbone interact. energy: -7.853
local terms energy: -927.158038
where:
bonds (distance) C4'-P energy: -154.468
bonds (distance) P-C4' energy: -180.952
flat angles C4'-P-C4' energy: -193.277
flat angles P-C4'-P energy: -139.472
tors. eta vs tors. theta energy: -258.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2838.852902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.852902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.852902 (E_RNA)
where:
Base-Base interactions energy: -1921.330
where: short stacking energy: -791.995
Base-Backbone interact. energy: -2.936
local terms energy: -914.587718
where:
bonds (distance) C4'-P energy: -175.068
bonds (distance) P-C4' energy: -166.659
flat angles C4'-P-C4' energy: -202.380
flat angles P-C4'-P energy: -137.372
tors. eta vs tors. theta energy: -233.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2590.950859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.950859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.950859 (E_RNA)
where:
Base-Base interactions energy: -1746.543
where: short stacking energy: -763.295
Base-Backbone interact. energy: -3.955
local terms energy: -840.452374
where:
bonds (distance) C4'-P energy: -166.643
bonds (distance) P-C4' energy: -163.721
flat angles C4'-P-C4' energy: -188.676
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -220.249
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: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2301.004261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.004261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.004261 (E_RNA)
where:
Base-Base interactions energy: -1514.604
where: short stacking energy: -652.199
Base-Backbone interact. energy: -1.048
local terms energy: -785.352791
where:
bonds (distance) C4'-P energy: -156.806
bonds (distance) P-C4' energy: -162.951
flat angles C4'-P-C4' energy: -169.096
flat angles P-C4'-P energy: -121.645
tors. eta vs tors. theta energy: -174.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2145.149614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.149614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.149614 (E_RNA)
where:
Base-Base interactions energy: -1404.496
where: short stacking energy: -637.485
Base-Backbone interact. energy: -5.299
local terms energy: -735.354212
where:
bonds (distance) C4'-P energy: -156.349
bonds (distance) P-C4' energy: -143.668
flat angles C4'-P-C4' energy: -160.323
flat angles P-C4'-P energy: -117.945
tors. eta vs tors. theta energy: -157.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1816.679013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.679013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.679013 (E_RNA)
where:
Base-Base interactions energy: -1118.306
where: short stacking energy: -506.439
Base-Backbone interact. energy: 4.072
local terms energy: -702.444453
where:
bonds (distance) C4'-P energy: -155.148
bonds (distance) P-C4' energy: -180.417
flat angles C4'-P-C4' energy: -161.590
flat angles P-C4'-P energy: -99.407
tors. eta vs tors. theta energy: -105.882
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: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1481.076864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.076864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.076864 (E_RNA)
where:
Base-Base interactions energy: -897.899
where: short stacking energy: -417.291
Base-Backbone interact. energy: -1.356
local terms energy: -581.822130
where:
bonds (distance) C4'-P energy: -141.204
bonds (distance) P-C4' energy: -140.835
flat angles C4'-P-C4' energy: -133.419
flat angles P-C4'-P energy: -100.627
tors. eta vs tors. theta energy: -65.738
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: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1057.999965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.999965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.999965 (E_RNA)
where:
Base-Base interactions energy: -560.334
where: short stacking energy: -305.418
Base-Backbone interact. energy: 2.505
local terms energy: -500.170869
where:
bonds (distance) C4'-P energy: -140.952
bonds (distance) P-C4' energy: -148.588
flat angles C4'-P-C4' energy: -126.549
flat angles P-C4'-P energy: -70.473
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -939.562515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.562515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.562515 (E_RNA)
where:
Base-Base interactions energy: -482.465
where: short stacking energy: -272.265
Base-Backbone interact. energy: -2.782
local terms energy: -454.315469
where:
bonds (distance) C4'-P energy: -117.930
bonds (distance) P-C4' energy: -145.832
flat angles C4'-P-C4' energy: -140.062
flat angles P-C4'-P energy: -63.453
tors. eta vs tors. theta energy: 12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -3095.392742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3095.392742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3095.392742 (E_RNA)
where:
Base-Base interactions energy: -2099.063
where: short stacking energy: -899.631
Base-Backbone interact. energy: -5.288
local terms energy: -991.041421
where:
bonds (distance) C4'-P energy: -180.008
bonds (distance) P-C4' energy: -188.544
flat angles C4'-P-C4' energy: -215.607
flat angles P-C4'-P energy: -126.086
tors. eta vs tors. theta energy: -280.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2901.167230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.167230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.167230 (E_RNA)
where:
Base-Base interactions energy: -1983.130
where: short stacking energy: -847.733
Base-Backbone interact. energy: -4.444
local terms energy: -913.593679
where:
bonds (distance) C4'-P energy: -174.400
bonds (distance) P-C4' energy: -169.090
flat angles C4'-P-C4' energy: -198.882
flat angles P-C4'-P energy: -128.477
tors. eta vs tors. theta energy: -242.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2851.708654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.708654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.708654 (E_RNA)
where:
Base-Base interactions energy: -1955.459
where: short stacking energy: -806.682
Base-Backbone interact. energy: -0.030
local terms energy: -896.219105
where:
bonds (distance) C4'-P energy: -162.649
bonds (distance) P-C4' energy: -169.518
flat angles C4'-P-C4' energy: -183.436
flat angles P-C4'-P energy: -135.671
tors. eta vs tors. theta energy: -244.945
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: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2595.107488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.107488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.107488 (E_RNA)
where:
Base-Base interactions energy: -1711.462
where: short stacking energy: -768.402
Base-Backbone interact. energy: 2.757
local terms energy: -886.402639
where:
bonds (distance) C4'-P energy: -174.259
bonds (distance) P-C4' energy: -165.793
flat angles C4'-P-C4' energy: -197.555
flat angles P-C4'-P energy: -122.166
tors. eta vs tors. theta energy: -226.630
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: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2363.184563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.184563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.184563 (E_RNA)
where:
Base-Base interactions energy: -1556.705
where: short stacking energy: -667.107
Base-Backbone interact. energy: 5.584
local terms energy: -812.063151
where:
bonds (distance) C4'-P energy: -173.208
bonds (distance) P-C4' energy: -176.004
flat angles C4'-P-C4' energy: -191.384
flat angles P-C4'-P energy: -110.672
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: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2126.028486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.028486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.028486 (E_RNA)
where:
Base-Base interactions energy: -1430.348
where: short stacking energy: -620.181
Base-Backbone interact. energy: 1.708
local terms energy: -697.389075
where:
bonds (distance) C4'-P energy: -162.261
bonds (distance) P-C4' energy: -146.840
flat angles C4'-P-C4' energy: -151.981
flat angles P-C4'-P energy: -89.098
tors. eta vs tors. theta energy: -147.210
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: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1825.044779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.044779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.044779 (E_RNA)
where:
Base-Base interactions energy: -1157.181
where: short stacking energy: -508.629
Base-Backbone interact. energy: -0.698
local terms energy: -667.165070
where:
bonds (distance) C4'-P energy: -145.804
bonds (distance) P-C4' energy: -153.707
flat angles C4'-P-C4' energy: -164.277
flat angles P-C4'-P energy: -102.720
tors. eta vs tors. theta energy: -100.657
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: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1435.378793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.378793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.378793 (E_RNA)
where:
Base-Base interactions energy: -827.040
where: short stacking energy: -399.137
Base-Backbone interact. energy: -1.216
local terms energy: -607.122399
where:
bonds (distance) C4'-P energy: -139.897
bonds (distance) P-C4' energy: -167.868
flat angles C4'-P-C4' energy: -144.050
flat angles P-C4'-P energy: -101.175
tors. eta vs tors. theta energy: -54.132
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1097.818876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.818876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.818876 (E_RNA)
where:
Base-Base interactions energy: -573.387
where: short stacking energy: -325.990
Base-Backbone interact. energy: 3.468
local terms energy: -527.899820
where:
bonds (distance) C4'-P energy: -139.299
bonds (distance) P-C4' energy: -139.212
flat angles C4'-P-C4' energy: -148.255
flat angles P-C4'-P energy: -79.460
tors. eta vs tors. theta energy: -21.673
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: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -909.317161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.317161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.317161 (E_RNA)
where:
Base-Base interactions energy: -431.852
where: short stacking energy: -251.227
Base-Backbone interact. energy: -2.934
local terms energy: -474.531144
where:
bonds (distance) C4'-P energy: -148.820
bonds (distance) P-C4' energy: -166.364
flat angles C4'-P-C4' energy: -131.107
flat angles P-C4'-P energy: -59.675
tors. eta vs tors. theta energy: 31.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -3127.484038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3127.484038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3127.484038 (E_RNA)
where:
Base-Base interactions energy: -2132.139
where: short stacking energy: -914.981
Base-Backbone interact. energy: -1.207
local terms energy: -994.138435
where:
bonds (distance) C4'-P energy: -195.649
bonds (distance) P-C4' energy: -177.612
flat angles C4'-P-C4' energy: -193.548
flat angles P-C4'-P energy: -141.922
tors. eta vs tors. theta energy: -285.407
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: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2870.305508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.305508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.305508 (E_RNA)
where:
Base-Base interactions energy: -1940.822
where: short stacking energy: -829.891
Base-Backbone interact. energy: 1.764
local terms energy: -931.247211
where:
bonds (distance) C4'-P energy: -152.877
bonds (distance) P-C4' energy: -173.945
flat angles C4'-P-C4' energy: -216.015
flat angles P-C4'-P energy: -142.281
tors. eta vs tors. theta energy: -246.129
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: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2812.105749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.105749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.105749 (E_RNA)
where:
Base-Base interactions energy: -1914.352
where: short stacking energy: -804.648
Base-Backbone interact. energy: -1.653
local terms energy: -896.101294
where:
bonds (distance) C4'-P energy: -174.280
bonds (distance) P-C4' energy: -181.113
flat angles C4'-P-C4' energy: -176.515
flat angles P-C4'-P energy: -134.479
tors. eta vs tors. theta energy: -229.714
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: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2601.984280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.984280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.984280 (E_RNA)
where:
Base-Base interactions energy: -1716.209
where: short stacking energy: -782.460
Base-Backbone interact. energy: -3.931
local terms energy: -881.844655
where:
bonds (distance) C4'-P energy: -181.114
bonds (distance) P-C4' energy: -146.708
flat angles C4'-P-C4' energy: -193.643
flat angles P-C4'-P energy: -119.681
tors. eta vs tors. theta energy: -240.698
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: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2371.544763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.544763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.544763 (E_RNA)
where:
Base-Base interactions energy: -1564.922
where: short stacking energy: -690.713
Base-Backbone interact. energy: 0.696
local terms energy: -807.318110
where:
bonds (distance) C4'-P energy: -171.086
bonds (distance) P-C4' energy: -175.391
flat angles C4'-P-C4' energy: -163.169
flat angles P-C4'-P energy: -117.827
tors. eta vs tors. theta energy: -179.846
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: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2051.495815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.495815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.495815 (E_RNA)
where:
Base-Base interactions energy: -1316.587
where: short stacking energy: -546.820
Base-Backbone interact. energy: 4.129
local terms energy: -739.038036
where:
bonds (distance) C4'-P energy: -171.451
bonds (distance) P-C4' energy: -181.301
flat angles C4'-P-C4' energy: -160.142
flat angles P-C4'-P energy: -98.732
tors. eta vs tors. theta energy: -127.411
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: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1871.762327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.762327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.762327 (E_RNA)
where:
Base-Base interactions energy: -1181.272
where: short stacking energy: -516.976
Base-Backbone interact. energy: 4.194
local terms energy: -694.683950
where:
bonds (distance) C4'-P energy: -154.968
bonds (distance) P-C4' energy: -160.082
flat angles C4'-P-C4' energy: -162.276
flat angles P-C4'-P energy: -108.594
tors. eta vs tors. theta energy: -108.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1480.573553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.573553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.573553 (E_RNA)
where:
Base-Base interactions energy: -889.528
where: short stacking energy: -442.878
Base-Backbone interact. energy: -2.566
local terms energy: -588.479227
where:
bonds (distance) C4'-P energy: -132.140
bonds (distance) P-C4' energy: -153.090
flat angles C4'-P-C4' energy: -136.948
flat angles P-C4'-P energy: -101.311
tors. eta vs tors. theta energy: -64.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1025.071112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.071112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.071112 (E_RNA)
where:
Base-Base interactions energy: -509.076
where: short stacking energy: -341.871
Base-Backbone interact. energy: 0.169
local terms energy: -516.163230
where:
bonds (distance) C4'-P energy: -139.081
bonds (distance) P-C4' energy: -137.168
flat angles C4'-P-C4' energy: -144.210
flat angles P-C4'-P energy: -77.435
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -823.949788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.949788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.949788 (E_RNA)
where:
Base-Base interactions energy: -370.059
where: short stacking energy: -228.224
Base-Backbone interact. energy: -3.922
local terms energy: -449.969020
where:
bonds (distance) C4'-P energy: -131.556
bonds (distance) P-C4' energy: -156.219
flat angles C4'-P-C4' energy: -113.123
flat angles P-C4'-P energy: -63.628
tors. eta vs tors. theta energy: 14.556
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: 268
Temperature: 0.900000
Total energy: -3082.524152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3082.524152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3082.524152 (E_RNA)
where:
Base-Base interactions energy: -2116.046
where: short stacking energy: -899.541
Base-Backbone interact. energy: -0.470
local terms energy: -966.008392
where:
bonds (distance) C4'-P energy: -185.376
bonds (distance) P-C4' energy: -169.435
flat angles C4'-P-C4' energy: -198.008
flat angles P-C4'-P energy: -134.255
tors. eta vs tors. theta energy: -278.934
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: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2891.097796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.097796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.097796 (E_RNA)
where:
Base-Base interactions energy: -1951.851
where: short stacking energy: -867.279
Base-Backbone interact. energy: 3.525
local terms energy: -942.772653
where:
bonds (distance) C4'-P energy: -184.013
bonds (distance) P-C4' energy: -190.963
flat angles C4'-P-C4' energy: -174.863
flat angles P-C4'-P energy: -141.222
tors. eta vs tors. theta energy: -251.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2865.877190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.877190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.877190 (E_RNA)
where:
Base-Base interactions energy: -1960.901
where: short stacking energy: -828.510
Base-Backbone interact. energy: -4.816
local terms energy: -900.160024
where:
bonds (distance) C4'-P energy: -177.369
bonds (distance) P-C4' energy: -168.374
flat angles C4'-P-C4' energy: -187.115
flat angles P-C4'-P energy: -120.768
tors. eta vs tors. theta energy: -246.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2624.058817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.058817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.058817 (E_RNA)
where:
Base-Base interactions energy: -1723.109
where: short stacking energy: -780.921
Base-Backbone interact. energy: -2.887
local terms energy: -898.062030
where:
bonds (distance) C4'-P energy: -170.532
bonds (distance) P-C4' energy: -166.485
flat angles C4'-P-C4' energy: -190.330
flat angles P-C4'-P energy: -123.861
tors. eta vs tors. theta energy: -246.855
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: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2297.945585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.945585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.945585 (E_RNA)
where:
Base-Base interactions energy: -1529.311
where: short stacking energy: -629.707
Base-Backbone interact. energy: -1.289
local terms energy: -767.345513
where:
bonds (distance) C4'-P energy: -169.337
bonds (distance) P-C4' energy: -156.657
flat angles C4'-P-C4' energy: -178.037
flat angles P-C4'-P energy: -104.824
tors. eta vs tors. theta energy: -158.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2036.193865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.193865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.193865 (E_RNA)
where:
Base-Base interactions energy: -1323.814
where: short stacking energy: -583.093
Base-Backbone interact. energy: 1.338
local terms energy: -713.717338
where:
bonds (distance) C4'-P energy: -145.234
bonds (distance) P-C4' energy: -160.212
flat angles C4'-P-C4' energy: -177.458
flat angles P-C4'-P energy: -106.520
tors. eta vs tors. theta energy: -124.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1838.407813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.407813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.407813 (E_RNA)
where:
Base-Base interactions energy: -1168.967
where: short stacking energy: -527.853
Base-Backbone interact. energy: -2.772
local terms energy: -666.669195
where:
bonds (distance) C4'-P energy: -138.959
bonds (distance) P-C4' energy: -164.730
flat angles C4'-P-C4' energy: -149.076
flat angles P-C4'-P energy: -95.618
tors. eta vs tors. theta energy: -118.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1427.260488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.260488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.260488 (E_RNA)
where:
Base-Base interactions energy: -854.937
where: short stacking energy: -414.401
Base-Backbone interact. energy: -3.268
local terms energy: -569.055166
where:
bonds (distance) C4'-P energy: -147.150
bonds (distance) P-C4' energy: -158.790
flat angles C4'-P-C4' energy: -137.224
flat angles P-C4'-P energy: -76.960
tors. eta vs tors. theta energy: -48.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1086.427602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.427602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.427602 (E_RNA)
where:
Base-Base interactions energy: -546.569
where: short stacking energy: -294.598
Base-Backbone interact. energy: -2.121
local terms energy: -537.737581
where:
bonds (distance) C4'-P energy: -140.515
bonds (distance) P-C4' energy: -157.993
flat angles C4'-P-C4' energy: -127.784
flat angles P-C4'-P energy: -84.349
tors. eta vs tors. theta energy: -27.096
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -890.737106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.737106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.737106 (E_RNA)
where:
Base-Base interactions energy: -372.956
where: short stacking energy: -260.609
Base-Backbone interact. energy: 7.793
local terms energy: -525.574008
where:
bonds (distance) C4'-P energy: -160.898
bonds (distance) P-C4' energy: -139.917
flat angles C4'-P-C4' energy: -122.425
flat angles P-C4'-P energy: -101.604
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -3080.665677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3080.665677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3080.665677 (E_RNA)
where:
Base-Base interactions energy: -2076.686
where: short stacking energy: -900.174
Base-Backbone interact. energy: -6.544
local terms energy: -997.435322
where:
bonds (distance) C4'-P energy: -183.351
bonds (distance) P-C4' energy: -192.924
flat angles C4'-P-C4' energy: -214.408
flat angles P-C4'-P energy: -135.229
tors. eta vs tors. theta energy: -271.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2987.001012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.001012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.001012 (E_RNA)
where:
Base-Base interactions energy: -2068.712
where: short stacking energy: -835.956
Base-Backbone interact. energy: -5.273
local terms energy: -913.016238
where:
bonds (distance) C4'-P energy: -160.249
bonds (distance) P-C4' energy: -171.498
flat angles C4'-P-C4' energy: -199.971
flat angles P-C4'-P energy: -134.700
tors. eta vs tors. theta energy: -246.598
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: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2785.364609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.364609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.364609 (E_RNA)
where:
Base-Base interactions energy: -1905.376
where: short stacking energy: -797.277
Base-Backbone interact. energy: -4.400
local terms energy: -875.588980
where:
bonds (distance) C4'-P energy: -164.069
bonds (distance) P-C4' energy: -177.688
flat angles C4'-P-C4' energy: -176.307
flat angles P-C4'-P energy: -135.682
tors. eta vs tors. theta energy: -221.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2647.766663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.766663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.766663 (E_RNA)
where:
Base-Base interactions energy: -1752.270
where: short stacking energy: -777.586
Base-Backbone interact. energy: 0.932
local terms energy: -896.428446
where:
bonds (distance) C4'-P energy: -163.336
bonds (distance) P-C4' energy: -172.006
flat angles C4'-P-C4' energy: -190.093
flat angles P-C4'-P energy: -119.943
tors. eta vs tors. theta energy: -251.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2322.393453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.393453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.393453 (E_RNA)
where:
Base-Base interactions energy: -1527.251
where: short stacking energy: -627.196
Base-Backbone interact. energy: -5.221
local terms energy: -789.921365
where:
bonds (distance) C4'-P energy: -161.637
bonds (distance) P-C4' energy: -174.477
flat angles C4'-P-C4' energy: -149.000
flat angles P-C4'-P energy: -139.416
tors. eta vs tors. theta energy: -165.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2154.947944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.947944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.947944 (E_RNA)
where:
Base-Base interactions energy: -1403.981
where: short stacking energy: -656.940
Base-Backbone interact. energy: 1.745
local terms energy: -752.711898
where:
bonds (distance) C4'-P energy: -160.052
bonds (distance) P-C4' energy: -157.749
flat angles C4'-P-C4' energy: -179.920
flat angles P-C4'-P energy: -104.366
tors. eta vs tors. theta energy: -150.624
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: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1905.702292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.702292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.702292 (E_RNA)
where:
Base-Base interactions energy: -1180.308
where: short stacking energy: -558.552
Base-Backbone interact. energy: -0.995
local terms energy: -724.398815
where:
bonds (distance) C4'-P energy: -142.141
bonds (distance) P-C4' energy: -175.506
flat angles C4'-P-C4' energy: -163.343
flat angles P-C4'-P energy: -122.500
tors. eta vs tors. theta energy: -120.909
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1513.801915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.801915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.801915 (E_RNA)
where:
Base-Base interactions energy: -953.964
where: short stacking energy: -459.060
Base-Backbone interact. energy: 0.987
local terms energy: -560.824619
where:
bonds (distance) C4'-P energy: -129.222
bonds (distance) P-C4' energy: -152.110
flat angles C4'-P-C4' energy: -126.799
flat angles P-C4'-P energy: -93.370
tors. eta vs tors. theta energy: -59.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1075.591392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.591392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.591392 (E_RNA)
where:
Base-Base interactions energy: -562.142
where: short stacking energy: -326.443
Base-Backbone interact. energy: 0.658
local terms energy: -514.107312
where:
bonds (distance) C4'-P energy: -150.545
bonds (distance) P-C4' energy: -145.276
flat angles C4'-P-C4' energy: -138.477
flat angles P-C4'-P energy: -57.643
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -765.378835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.378835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.378835 (E_RNA)
where:
Base-Base interactions energy: -292.898
where: short stacking energy: -182.866
Base-Backbone interact. energy: 6.712
local terms energy: -479.192973
where:
bonds (distance) C4'-P energy: -152.053
bonds (distance) P-C4' energy: -153.103
flat angles C4'-P-C4' energy: -134.622
flat angles P-C4'-P energy: -54.507
tors. eta vs tors. theta energy: 15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -3133.243200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3133.243200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3133.243200 (E_RNA)
where:
Base-Base interactions energy: -2147.445
where: short stacking energy: -906.584
Base-Backbone interact. energy: -4.078
local terms energy: -981.719821
where:
bonds (distance) C4'-P energy: -182.190
bonds (distance) P-C4' energy: -192.583
flat angles C4'-P-C4' energy: -197.472
flat angles P-C4'-P energy: -137.829
tors. eta vs tors. theta energy: -271.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2980.597910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.597910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.597910 (E_RNA)
where:
Base-Base interactions energy: -2040.795
where: short stacking energy: -844.375
Base-Backbone interact. energy: -4.124
local terms energy: -935.678420
where:
bonds (distance) C4'-P energy: -168.542
bonds (distance) P-C4' energy: -182.981
flat angles C4'-P-C4' energy: -206.076
flat angles P-C4'-P energy: -128.905
tors. eta vs tors. theta energy: -249.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2830.914117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.914117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.914117 (E_RNA)
where:
Base-Base interactions energy: -1922.262
where: short stacking energy: -790.818
Base-Backbone interact. energy: -2.705
local terms energy: -905.947546
where:
bonds (distance) C4'-P energy: -158.414
bonds (distance) P-C4' energy: -167.368
flat angles C4'-P-C4' energy: -208.535
flat angles P-C4'-P energy: -129.933
tors. eta vs tors. theta energy: -241.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2673.529764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.529764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.529764 (E_RNA)
where:
Base-Base interactions energy: -1794.713
where: short stacking energy: -777.887
Base-Backbone interact. energy: -1.381
local terms energy: -877.436227
where:
bonds (distance) C4'-P energy: -160.657
bonds (distance) P-C4' energy: -165.940
flat angles C4'-P-C4' energy: -202.771
flat angles P-C4'-P energy: -118.567
tors. eta vs tors. theta energy: -229.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2325.185350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.185350 (E_RNA)
where:
Base-Base interactions energy: -1542.923
where: short stacking energy: -655.074
Base-Backbone interact. energy: 1.510
local terms energy: -783.772479
where:
bonds (distance) C4'-P energy: -170.285
bonds (distance) P-C4' energy: -159.859
flat angles C4'-P-C4' energy: -163.862
flat angles P-C4'-P energy: -120.716
tors. eta vs tors. theta energy: -169.049
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: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2105.406262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.406262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.406262 (E_RNA)
where:
Base-Base interactions energy: -1371.586
where: short stacking energy: -594.852
Base-Backbone interact. energy: -1.102
local terms energy: -732.717747
where:
bonds (distance) C4'-P energy: -142.029
bonds (distance) P-C4' energy: -168.517
flat angles C4'-P-C4' energy: -161.425
flat angles P-C4'-P energy: -109.687
tors. eta vs tors. theta energy: -151.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1841.688738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.688738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.688738 (E_RNA)
where:
Base-Base interactions energy: -1184.719
where: short stacking energy: -535.505
Base-Backbone interact. energy: 1.471
local terms energy: -658.440563
where:
bonds (distance) C4'-P energy: -158.352
bonds (distance) P-C4' energy: -156.047
flat angles C4'-P-C4' energy: -145.524
flat angles P-C4'-P energy: -98.737
tors. eta vs tors. theta energy: -99.781
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: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1460.390278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.390278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.390278 (E_RNA)
where:
Base-Base interactions energy: -870.585
where: short stacking energy: -399.833
Base-Backbone interact. energy: -0.169
local terms energy: -589.636212
where:
bonds (distance) C4'-P energy: -137.726
bonds (distance) P-C4' energy: -169.123
flat angles C4'-P-C4' energy: -140.342
flat angles P-C4'-P energy: -80.640
tors. eta vs tors. theta energy: -61.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1043.160586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.160586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.160586 (E_RNA)
where:
Base-Base interactions energy: -559.333
where: short stacking energy: -253.007
Base-Backbone interact. energy: 2.057
local terms energy: -485.884910
where:
bonds (distance) C4'-P energy: -169.852
bonds (distance) P-C4' energy: -151.731
flat angles C4'-P-C4' energy: -119.482
flat angles P-C4'-P energy: -58.471
tors. eta vs tors. theta energy: 13.651
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: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -726.938005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.938005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.938005 (E_RNA)
where:
Base-Base interactions energy: -277.533
where: short stacking energy: -149.485
Base-Backbone interact. energy: 2.930
local terms energy: -452.335211
where:
bonds (distance) C4'-P energy: -156.001
bonds (distance) P-C4' energy: -154.508
flat angles C4'-P-C4' energy: -130.376
flat angles P-C4'-P energy: -69.808
tors. eta vs tors. theta energy: 58.358
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: 271
Temperature: 0.900000
Total energy: -3085.997335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3085.997335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3085.997335 (E_RNA)
where:
Base-Base interactions energy: -2127.505
where: short stacking energy: -899.863
Base-Backbone interact. energy: 1.411
local terms energy: -959.903232
where:
bonds (distance) C4'-P energy: -186.203
bonds (distance) P-C4' energy: -182.768
flat angles C4'-P-C4' energy: -202.382
flat angles P-C4'-P energy: -139.810
tors. eta vs tors. theta energy: -248.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2938.878008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.878008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.878008 (E_RNA)
where:
Base-Base interactions energy: -2029.498
where: short stacking energy: -810.731
Base-Backbone interact. energy: -7.118
local terms energy: -902.262781
where:
bonds (distance) C4'-P energy: -169.968
bonds (distance) P-C4' energy: -179.200
flat angles C4'-P-C4' energy: -182.204
flat angles P-C4'-P energy: -132.332
tors. eta vs tors. theta energy: -238.559
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: 271
Temperature: 1.000000
Total energy: -2858.735962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.735962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.735962 (E_RNA)
where:
Base-Base interactions energy: -1966.231
where: short stacking energy: -820.594
Base-Backbone interact. energy: 2.497
local terms energy: -895.001478
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -177.566
flat angles C4'-P-C4' energy: -196.793
flat angles P-C4'-P energy: -133.801
tors. eta vs tors. theta energy: -237.226
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: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2659.747447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.747447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.747447 (E_RNA)
where:
Base-Base interactions energy: -1801.113
where: short stacking energy: -790.644
Base-Backbone interact. energy: -0.722
local terms energy: -857.911977
where:
bonds (distance) C4'-P energy: -159.913
bonds (distance) P-C4' energy: -162.973
flat angles C4'-P-C4' energy: -190.542
flat angles P-C4'-P energy: -109.983
tors. eta vs tors. theta energy: -234.501
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: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2394.088138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.088138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.088138 (E_RNA)
where:
Base-Base interactions energy: -1588.184
where: short stacking energy: -685.819
Base-Backbone interact. energy: -2.196
local terms energy: -803.708000
where:
bonds (distance) C4'-P energy: -151.807
bonds (distance) P-C4' energy: -170.762
flat angles C4'-P-C4' energy: -172.898
flat angles P-C4'-P energy: -103.155
tors. eta vs tors. theta energy: -205.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2057.250673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.250673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.250673 (E_RNA)
where:
Base-Base interactions energy: -1318.331
where: short stacking energy: -583.233
Base-Backbone interact. energy: 0.271
local terms energy: -739.190893
where:
bonds (distance) C4'-P energy: -162.583
bonds (distance) P-C4' energy: -157.904
flat angles C4'-P-C4' energy: -164.268
flat angles P-C4'-P energy: -105.095
tors. eta vs tors. theta energy: -149.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1830.174583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.174583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.174583 (E_RNA)
where:
Base-Base interactions energy: -1153.506
where: short stacking energy: -544.159
Base-Backbone interact. energy: -0.853
local terms energy: -675.815183
where:
bonds (distance) C4'-P energy: -121.798
bonds (distance) P-C4' energy: -176.901
flat angles C4'-P-C4' energy: -154.476
flat angles P-C4'-P energy: -108.024
tors. eta vs tors. theta energy: -114.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1499.537095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.537095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.537095 (E_RNA)
where:
Base-Base interactions energy: -870.779
where: short stacking energy: -415.661
Base-Backbone interact. energy: -5.350
local terms energy: -623.408253
where:
bonds (distance) C4'-P energy: -149.860
bonds (distance) P-C4' energy: -155.029
flat angles C4'-P-C4' energy: -159.634
flat angles P-C4'-P energy: -104.052
tors. eta vs tors. theta energy: -54.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1192.127243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.127243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.127243 (E_RNA)
where:
Base-Base interactions energy: -639.210
where: short stacking energy: -325.667
Base-Backbone interact. energy: -1.801
local terms energy: -551.116721
where:
bonds (distance) C4'-P energy: -142.871
bonds (distance) P-C4' energy: -137.092
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -90.324
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -785.695423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.695423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.695423 (E_RNA)
where:
Base-Base interactions energy: -359.669
where: short stacking energy: -224.520
Base-Backbone interact. energy: 4.243
local terms energy: -430.268655
where:
bonds (distance) C4'-P energy: -131.551
bonds (distance) P-C4' energy: -136.296
flat angles C4'-P-C4' energy: -122.012
flat angles P-C4'-P energy: -63.919
tors. eta vs tors. theta energy: 23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -3095.559408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3095.559408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3095.559408 (E_RNA)
where:
Base-Base interactions energy: -2103.603
where: short stacking energy: -894.499
Base-Backbone interact. energy: -5.673
local terms energy: -986.283469
where:
bonds (distance) C4'-P energy: -170.698
bonds (distance) P-C4' energy: -196.696
flat angles C4'-P-C4' energy: -216.687
flat angles P-C4'-P energy: -126.794
tors. eta vs tors. theta energy: -275.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2948.855764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.855764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.855764 (E_RNA)
where:
Base-Base interactions energy: -2037.981
where: short stacking energy: -836.427
Base-Backbone interact. energy: -1.910
local terms energy: -908.965419
where:
bonds (distance) C4'-P energy: -174.121
bonds (distance) P-C4' energy: -165.039
flat angles C4'-P-C4' energy: -207.857
flat angles P-C4'-P energy: -121.849
tors. eta vs tors. theta energy: -240.100
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: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2795.993782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.993782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.993782 (E_RNA)
where:
Base-Base interactions energy: -1900.159
where: short stacking energy: -783.731
Base-Backbone interact. energy: -4.325
local terms energy: -891.510096
where:
bonds (distance) C4'-P energy: -155.539
bonds (distance) P-C4' energy: -186.403
flat angles C4'-P-C4' energy: -198.613
flat angles P-C4'-P energy: -121.768
tors. eta vs tors. theta energy: -229.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2671.118672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.118672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.118672 (E_RNA)
where:
Base-Base interactions energy: -1825.660
where: short stacking energy: -787.807
Base-Backbone interact. energy: -0.331
local terms energy: -845.127659
where:
bonds (distance) C4'-P energy: -153.315
bonds (distance) P-C4' energy: -146.738
flat angles C4'-P-C4' energy: -188.886
flat angles P-C4'-P energy: -123.584
tors. eta vs tors. theta energy: -232.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2289.866747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.866747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.866747 (E_RNA)
where:
Base-Base interactions energy: -1529.259
where: short stacking energy: -644.215
Base-Backbone interact. energy: 1.356
local terms energy: -761.963491
where:
bonds (distance) C4'-P energy: -170.114
bonds (distance) P-C4' energy: -165.577
flat angles C4'-P-C4' energy: -161.501
flat angles P-C4'-P energy: -101.920
tors. eta vs tors. theta energy: -162.852
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: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2105.751547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.751547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.751547 (E_RNA)
where:
Base-Base interactions energy: -1386.643
where: short stacking energy: -628.264
Base-Backbone interact. energy: -2.721
local terms energy: -716.388250
where:
bonds (distance) C4'-P energy: -143.438
bonds (distance) P-C4' energy: -164.040
flat angles C4'-P-C4' energy: -184.159
flat angles P-C4'-P energy: -82.247
tors. eta vs tors. theta energy: -142.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1851.878081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.878081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.878081 (E_RNA)
where:
Base-Base interactions energy: -1182.361
where: short stacking energy: -519.799
Base-Backbone interact. energy: 0.174
local terms energy: -669.690591
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -156.692
flat angles C4'-P-C4' energy: -165.537
flat angles P-C4'-P energy: -102.076
tors. eta vs tors. theta energy: -107.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1490.761913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.761913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.761913 (E_RNA)
where:
Base-Base interactions energy: -888.323
where: short stacking energy: -439.092
Base-Backbone interact. energy: 0.509
local terms energy: -602.947916
where:
bonds (distance) C4'-P energy: -144.816
bonds (distance) P-C4' energy: -152.908
flat angles C4'-P-C4' energy: -149.517
flat angles P-C4'-P energy: -87.725
tors. eta vs tors. theta energy: -67.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1198.104258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.104258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.104258 (E_RNA)
where:
Base-Base interactions energy: -665.780
where: short stacking energy: -330.664
Base-Backbone interact. energy: 3.051
local terms energy: -535.374510
where:
bonds (distance) C4'-P energy: -139.198
bonds (distance) P-C4' energy: -157.528
flat angles C4'-P-C4' energy: -144.030
flat angles P-C4'-P energy: -79.225
tors. eta vs tors. theta energy: -15.393
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: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -784.646178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.646178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.646178 (E_RNA)
where:
Base-Base interactions energy: -327.830
where: short stacking energy: -227.346
Base-Backbone interact. energy: -0.128
local terms energy: -456.688651
where:
bonds (distance) C4'-P energy: -124.453
bonds (distance) P-C4' energy: -143.642
flat angles C4'-P-C4' energy: -135.182
flat angles P-C4'-P energy: -71.640
tors. eta vs tors. theta energy: 18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -3034.808004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.808004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.808004 (E_RNA)
where:
Base-Base interactions energy: -2055.984
where: short stacking energy: -869.935
Base-Backbone interact. energy: -2.570
local terms energy: -976.253571
where:
bonds (distance) C4'-P energy: -178.470
bonds (distance) P-C4' energy: -188.113
flat angles C4'-P-C4' energy: -211.790
flat angles P-C4'-P energy: -132.368
tors. eta vs tors. theta energy: -265.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2961.657681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.657681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.657681 (E_RNA)
where:
Base-Base interactions energy: -2057.506
where: short stacking energy: -834.315
Base-Backbone interact. energy: 5.800
local terms energy: -909.951579
where:
bonds (distance) C4'-P energy: -169.596
bonds (distance) P-C4' energy: -177.459
flat angles C4'-P-C4' energy: -190.405
flat angles P-C4'-P energy: -132.741
tors. eta vs tors. theta energy: -239.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2745.449401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.449401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.449401 (E_RNA)
where:
Base-Base interactions energy: -1895.968
where: short stacking energy: -791.773
Base-Backbone interact. energy: -4.275
local terms energy: -845.206334
where:
bonds (distance) C4'-P energy: -161.950
bonds (distance) P-C4' energy: -160.244
flat angles C4'-P-C4' energy: -174.822
flat angles P-C4'-P energy: -131.273
tors. eta vs tors. theta energy: -216.917
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: 273
Temperature: 1.050000
Total energy: -2652.436400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.436400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.436400 (E_RNA)
where:
Base-Base interactions energy: -1793.216
where: short stacking energy: -788.726
Base-Backbone interact. energy: -0.328
local terms energy: -858.892266
where:
bonds (distance) C4'-P energy: -147.739
bonds (distance) P-C4' energy: -170.804
flat angles C4'-P-C4' energy: -185.763
flat angles P-C4'-P energy: -123.944
tors. eta vs tors. theta energy: -230.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2360.773674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.773674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.773674 (E_RNA)
where:
Base-Base interactions energy: -1556.854
where: short stacking energy: -667.030
Base-Backbone interact. energy: 0.313
local terms energy: -804.233138
where:
bonds (distance) C4'-P energy: -139.688
bonds (distance) P-C4' energy: -169.250
flat angles C4'-P-C4' energy: -184.478
flat angles P-C4'-P energy: -125.257
tors. eta vs tors. theta energy: -185.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2080.205523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.205523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.205523 (E_RNA)
where:
Base-Base interactions energy: -1337.408
where: short stacking energy: -583.569
Base-Backbone interact. energy: -4.051
local terms energy: -738.746638
where:
bonds (distance) C4'-P energy: -159.471
bonds (distance) P-C4' energy: -165.918
flat angles C4'-P-C4' energy: -160.571
flat angles P-C4'-P energy: -102.856
tors. eta vs tors. theta energy: -149.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1839.897837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.897837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.897837 (E_RNA)
where:
Base-Base interactions energy: -1145.379
where: short stacking energy: -496.631
Base-Backbone interact. energy: -0.802
local terms energy: -693.717674
where:
bonds (distance) C4'-P energy: -157.701
bonds (distance) P-C4' energy: -178.959
flat angles C4'-P-C4' energy: -141.000
flat angles P-C4'-P energy: -104.667
tors. eta vs tors. theta energy: -111.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1470.562065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.562065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.562065 (E_RNA)
where:
Base-Base interactions energy: -869.546
where: short stacking energy: -391.634
Base-Backbone interact. energy: -3.429
local terms energy: -597.587001
where:
bonds (distance) C4'-P energy: -153.975
bonds (distance) P-C4' energy: -140.781
flat angles C4'-P-C4' energy: -147.959
flat angles P-C4'-P energy: -100.845
tors. eta vs tors. theta energy: -54.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1227.130102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.130102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.130102 (E_RNA)
where:
Base-Base interactions energy: -695.657
where: short stacking energy: -343.174
Base-Backbone interact. energy: -2.831
local terms energy: -528.642373
where:
bonds (distance) C4'-P energy: -146.874
bonds (distance) P-C4' energy: -161.477
flat angles C4'-P-C4' energy: -132.858
flat angles P-C4'-P energy: -76.689
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -782.355111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.355111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.355111 (E_RNA)
where:
Base-Base interactions energy: -327.027
where: short stacking energy: -198.395
Base-Backbone interact. energy: -0.633
local terms energy: -454.695645
where:
bonds (distance) C4'-P energy: -140.755
bonds (distance) P-C4' energy: -157.694
flat angles C4'-P-C4' energy: -125.130
flat angles P-C4'-P energy: -74.869
tors. eta vs tors. theta energy: 43.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -3054.267371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3054.267371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3054.267371 (E_RNA)
where:
Base-Base interactions energy: -2083.251
where: short stacking energy: -858.929
Base-Backbone interact. energy: -6.061
local terms energy: -964.955683
where:
bonds (distance) C4'-P energy: -182.353
bonds (distance) P-C4' energy: -178.325
flat angles C4'-P-C4' energy: -205.796
flat angles P-C4'-P energy: -149.912
tors. eta vs tors. theta energy: -248.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -3001.289194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.289194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.289194 (E_RNA)
where:
Base-Base interactions energy: -2008.169
where: short stacking energy: -870.192
Base-Backbone interact. energy: -3.908
local terms energy: -989.212127
where:
bonds (distance) C4'-P energy: -183.183
bonds (distance) P-C4' energy: -174.006
flat angles C4'-P-C4' energy: -211.866
flat angles P-C4'-P energy: -156.506
tors. eta vs tors. theta energy: -263.651
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: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2764.791717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.791717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.791717 (E_RNA)
where:
Base-Base interactions energy: -1858.628
where: short stacking energy: -821.432
Base-Backbone interact. energy: -2.983
local terms energy: -903.181039
where:
bonds (distance) C4'-P energy: -163.262
bonds (distance) P-C4' energy: -169.391
flat angles C4'-P-C4' energy: -198.032
flat angles P-C4'-P energy: -116.284
tors. eta vs tors. theta energy: -256.212
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2637.666077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.666077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.666077 (E_RNA)
where:
Base-Base interactions energy: -1791.839
where: short stacking energy: -713.099
Base-Backbone interact. energy: 1.433
local terms energy: -847.260304
where:
bonds (distance) C4'-P energy: -152.926
bonds (distance) P-C4' energy: -173.923
flat angles C4'-P-C4' energy: -182.118
flat angles P-C4'-P energy: -135.316
tors. eta vs tors. theta energy: -202.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2353.659054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.659054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.659054 (E_RNA)
where:
Base-Base interactions energy: -1591.478
where: short stacking energy: -658.368
Base-Backbone interact. energy: -4.971
local terms energy: -757.210081
where:
bonds (distance) C4'-P energy: -138.111
bonds (distance) P-C4' energy: -140.121
flat angles C4'-P-C4' energy: -181.893
flat angles P-C4'-P energy: -113.132
tors. eta vs tors. theta energy: -183.953
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: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2047.432930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.432930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.432930 (E_RNA)
where:
Base-Base interactions energy: -1343.605
where: short stacking energy: -585.300
Base-Backbone interact. energy: -4.333
local terms energy: -699.495618
where:
bonds (distance) C4'-P energy: -148.638
bonds (distance) P-C4' energy: -152.336
flat angles C4'-P-C4' energy: -156.537
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -141.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1842.346412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.346412 (E_RNA)
where:
Base-Base interactions energy: -1154.546
where: short stacking energy: -523.577
Base-Backbone interact. energy: -3.837
local terms energy: -683.963164
where:
bonds (distance) C4'-P energy: -140.672
bonds (distance) P-C4' energy: -162.784
flat angles C4'-P-C4' energy: -180.104
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -114.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1493.888345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.888345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.888345 (E_RNA)
where:
Base-Base interactions energy: -855.180
where: short stacking energy: -406.400
Base-Backbone interact. energy: 4.783
local terms energy: -643.490439
where:
bonds (distance) C4'-P energy: -170.610
bonds (distance) P-C4' energy: -171.430
flat angles C4'-P-C4' energy: -143.099
flat angles P-C4'-P energy: -95.071
tors. eta vs tors. theta energy: -63.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1218.019406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.019406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.019406 (E_RNA)
where:
Base-Base interactions energy: -674.142
where: short stacking energy: -347.465
Base-Backbone interact. energy: -1.487
local terms energy: -542.390769
where:
bonds (distance) C4'-P energy: -161.715
bonds (distance) P-C4' energy: -137.397
flat angles C4'-P-C4' energy: -138.107
flat angles P-C4'-P energy: -84.347
tors. eta vs tors. theta energy: -20.825
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: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -741.752330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.752330 (E_RNA)
where:
Base-Base interactions energy: -308.385
where: short stacking energy: -211.294
Base-Backbone interact. energy: -3.444
local terms energy: -429.922898
where:
bonds (distance) C4'-P energy: -151.569
bonds (distance) P-C4' energy: -144.662
flat angles C4'-P-C4' energy: -95.029
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: 18.738
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: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -3066.205715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3066.205715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3066.205715 (E_RNA)
where:
Base-Base interactions energy: -2098.327
where: short stacking energy: -862.519
Base-Backbone interact. energy: -4.952
local terms energy: -962.927515
where:
bonds (distance) C4'-P energy: -184.265
bonds (distance) P-C4' energy: -186.062
flat angles C4'-P-C4' energy: -205.430
flat angles P-C4'-P energy: -130.416
tors. eta vs tors. theta energy: -256.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2967.126522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.126522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.126522 (E_RNA)
where:
Base-Base interactions energy: -2014.944
where: short stacking energy: -855.863
Base-Backbone interact. energy: 0.150
local terms energy: -952.332873
where:
bonds (distance) C4'-P energy: -178.472
bonds (distance) P-C4' energy: -169.278
flat angles C4'-P-C4' energy: -195.191
flat angles P-C4'-P energy: -147.464
tors. eta vs tors. theta energy: -261.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2790.640532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.640532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.640532 (E_RNA)
where:
Base-Base interactions energy: -1886.986
where: short stacking energy: -811.619
Base-Backbone interact. energy: 0.400
local terms energy: -904.054040
where:
bonds (distance) C4'-P energy: -174.009
bonds (distance) P-C4' energy: -175.947
flat angles C4'-P-C4' energy: -180.844
flat angles P-C4'-P energy: -122.965
tors. eta vs tors. theta energy: -250.289
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: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2575.922910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.922910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.922910 (E_RNA)
where:
Base-Base interactions energy: -1744.607
where: short stacking energy: -740.859
Base-Backbone interact. energy: -6.532
local terms energy: -824.784379
where:
bonds (distance) C4'-P energy: -161.094
bonds (distance) P-C4' energy: -165.042
flat angles C4'-P-C4' energy: -190.929
flat angles P-C4'-P energy: -96.038
tors. eta vs tors. theta energy: -211.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2378.981963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.981963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.981963 (E_RNA)
where:
Base-Base interactions energy: -1599.440
where: short stacking energy: -697.296
Base-Backbone interact. energy: -3.283
local terms energy: -776.258471
where:
bonds (distance) C4'-P energy: -139.562
bonds (distance) P-C4' energy: -162.077
flat angles C4'-P-C4' energy: -188.875
flat angles P-C4'-P energy: -95.926
tors. eta vs tors. theta energy: -189.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2007.845571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.845571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.845571 (E_RNA)
where:
Base-Base interactions energy: -1295.735
where: short stacking energy: -574.924
Base-Backbone interact. energy: -5.572
local terms energy: -706.539133
where:
bonds (distance) C4'-P energy: -162.050
bonds (distance) P-C4' energy: -145.832
flat angles C4'-P-C4' energy: -160.410
flat angles P-C4'-P energy: -106.936
tors. eta vs tors. theta energy: -131.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1791.146955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.146955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.146955 (E_RNA)
where:
Base-Base interactions energy: -1138.419
where: short stacking energy: -532.688
Base-Backbone interact. energy: 1.014
local terms energy: -653.741450
where:
bonds (distance) C4'-P energy: -158.293
bonds (distance) P-C4' energy: -159.000
flat angles C4'-P-C4' energy: -158.532
flat angles P-C4'-P energy: -78.741
tors. eta vs tors. theta energy: -99.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1484.069142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.069142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.069142 (E_RNA)
where:
Base-Base interactions energy: -905.643
where: short stacking energy: -415.160
Base-Backbone interact. energy: 1.848
local terms energy: -580.273957
where:
bonds (distance) C4'-P energy: -139.679
bonds (distance) P-C4' energy: -150.809
flat angles C4'-P-C4' energy: -147.748
flat angles P-C4'-P energy: -92.386
tors. eta vs tors. theta energy: -49.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1238.691040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.691040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.691040 (E_RNA)
where:
Base-Base interactions energy: -728.794
where: short stacking energy: -370.524
Base-Backbone interact. energy: 5.298
local terms energy: -515.195233
where:
bonds (distance) C4'-P energy: -122.953
bonds (distance) P-C4' energy: -155.586
flat angles C4'-P-C4' energy: -126.928
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -878.200414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.200414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.200414 (E_RNA)
where:
Base-Base interactions energy: -435.382
where: short stacking energy: -223.097
Base-Backbone interact. energy: 3.457
local terms energy: -446.275406
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -143.618
flat angles C4'-P-C4' energy: -124.927
flat angles P-C4'-P energy: -59.370
tors. eta vs tors. theta energy: 20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -3059.956810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3059.956810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3059.956810 (E_RNA)
where:
Base-Base interactions energy: -2116.866
where: short stacking energy: -873.366
Base-Backbone interact. energy: -7.434
local terms energy: -935.657026
where:
bonds (distance) C4'-P energy: -165.613
bonds (distance) P-C4' energy: -187.874
flat angles C4'-P-C4' energy: -197.119
flat angles P-C4'-P energy: -122.680
tors. eta vs tors. theta energy: -262.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2975.719679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.719679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.719679 (E_RNA)
where:
Base-Base interactions energy: -2054.899
where: short stacking energy: -870.052
Base-Backbone interact. energy: -3.933
local terms energy: -916.887847
where:
bonds (distance) C4'-P energy: -161.196
bonds (distance) P-C4' energy: -180.960
flat angles C4'-P-C4' energy: -186.879
flat angles P-C4'-P energy: -132.499
tors. eta vs tors. theta energy: -255.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2799.720368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.720368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.720368 (E_RNA)
where:
Base-Base interactions energy: -1872.103
where: short stacking energy: -825.213
Base-Backbone interact. energy: -3.584
local terms energy: -924.032904
where:
bonds (distance) C4'-P energy: -168.317
bonds (distance) P-C4' energy: -166.775
flat angles C4'-P-C4' energy: -202.441
flat angles P-C4'-P energy: -126.822
tors. eta vs tors. theta energy: -259.678
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: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2634.460094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.460094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.460094 (E_RNA)
where:
Base-Base interactions energy: -1820.702
where: short stacking energy: -728.717
Base-Backbone interact. energy: -3.326
local terms energy: -810.432545
where:
bonds (distance) C4'-P energy: -137.997
bonds (distance) P-C4' energy: -175.945
flat angles C4'-P-C4' energy: -168.262
flat angles P-C4'-P energy: -124.076
tors. eta vs tors. theta energy: -204.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2357.327649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.327649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.327649 (E_RNA)
where:
Base-Base interactions energy: -1547.506
where: short stacking energy: -672.706
Base-Backbone interact. energy: -3.641
local terms energy: -806.180355
where:
bonds (distance) C4'-P energy: -167.684
bonds (distance) P-C4' energy: -163.367
flat angles C4'-P-C4' energy: -179.926
flat angles P-C4'-P energy: -114.204
tors. eta vs tors. theta energy: -180.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2037.364641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.364641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.364641 (E_RNA)
where:
Base-Base interactions energy: -1327.498
where: short stacking energy: -589.224
Base-Backbone interact. energy: -1.665
local terms energy: -708.201895
where:
bonds (distance) C4'-P energy: -153.709
bonds (distance) P-C4' energy: -158.568
flat angles C4'-P-C4' energy: -146.474
flat angles P-C4'-P energy: -108.600
tors. eta vs tors. theta energy: -140.851
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: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1845.131360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.131360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.131360 (E_RNA)
where:
Base-Base interactions energy: -1155.245
where: short stacking energy: -521.590
Base-Backbone interact. energy: 1.492
local terms energy: -691.378029
where:
bonds (distance) C4'-P energy: -160.723
bonds (distance) P-C4' energy: -154.959
flat angles C4'-P-C4' energy: -169.234
flat angles P-C4'-P energy: -93.212
tors. eta vs tors. theta energy: -113.249
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: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1426.654007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.654007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.654007 (E_RNA)
where:
Base-Base interactions energy: -866.912
where: short stacking energy: -431.262
Base-Backbone interact. energy: 0.780
local terms energy: -560.522144
where:
bonds (distance) C4'-P energy: -134.376
bonds (distance) P-C4' energy: -153.281
flat angles C4'-P-C4' energy: -129.388
flat angles P-C4'-P energy: -88.517
tors. eta vs tors. theta energy: -54.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1130.257726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.257726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.257726 (E_RNA)
where:
Base-Base interactions energy: -613.162
where: short stacking energy: -314.477
Base-Backbone interact. energy: 2.033
local terms energy: -519.129253
where:
bonds (distance) C4'-P energy: -132.085
bonds (distance) P-C4' energy: -137.613
flat angles C4'-P-C4' energy: -144.423
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -20.452
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: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -825.631624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.631624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.631624 (E_RNA)
where:
Base-Base interactions energy: -379.632
where: short stacking energy: -222.799
Base-Backbone interact. energy: 3.253
local terms energy: -449.251808
where:
bonds (distance) C4'-P energy: -133.261
bonds (distance) P-C4' energy: -145.212
flat angles C4'-P-C4' energy: -158.152
flat angles P-C4'-P energy: -61.750
tors. eta vs tors. theta energy: 49.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -3059.433818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3059.433818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3059.433818 (E_RNA)
where:
Base-Base interactions energy: -2094.295
where: short stacking energy: -839.198
Base-Backbone interact. energy: -4.850
local terms energy: -960.289104
where:
bonds (distance) C4'-P energy: -184.208
bonds (distance) P-C4' energy: -176.198
flat angles C4'-P-C4' energy: -212.382
flat angles P-C4'-P energy: -138.678
tors. eta vs tors. theta energy: -248.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2957.589193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.589193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.589193 (E_RNA)
where:
Base-Base interactions energy: -1989.612
where: short stacking energy: -847.762
Base-Backbone interact. energy: -2.100
local terms energy: -965.877090
where:
bonds (distance) C4'-P energy: -177.108
bonds (distance) P-C4' energy: -189.130
flat angles C4'-P-C4' energy: -208.179
flat angles P-C4'-P energy: -129.029
tors. eta vs tors. theta energy: -262.431
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: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2793.331574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.331574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.331574 (E_RNA)
where:
Base-Base interactions energy: -1882.744
where: short stacking energy: -833.218
Base-Backbone interact. energy: -2.341
local terms energy: -908.246509
where:
bonds (distance) C4'-P energy: -164.297
bonds (distance) P-C4' energy: -162.320
flat angles C4'-P-C4' energy: -190.948
flat angles P-C4'-P energy: -123.805
tors. eta vs tors. theta energy: -266.877
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: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2688.663368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.663368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.663368 (E_RNA)
where:
Base-Base interactions energy: -1809.077
where: short stacking energy: -792.291
Base-Backbone interact. energy: -3.956
local terms energy: -875.630893
where:
bonds (distance) C4'-P energy: -153.626
bonds (distance) P-C4' energy: -164.728
flat angles C4'-P-C4' energy: -190.962
flat angles P-C4'-P energy: -129.023
tors. eta vs tors. theta energy: -237.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2366.926722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.926722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.926722 (E_RNA)
where:
Base-Base interactions energy: -1586.295
where: short stacking energy: -676.529
Base-Backbone interact. energy: -4.365
local terms energy: -776.266580
where:
bonds (distance) C4'-P energy: -163.497
bonds (distance) P-C4' energy: -152.226
flat angles C4'-P-C4' energy: -156.198
flat angles P-C4'-P energy: -106.185
tors. eta vs tors. theta energy: -198.160
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: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2088.786064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.786064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.786064 (E_RNA)
where:
Base-Base interactions energy: -1383.501
where: short stacking energy: -617.256
Base-Backbone interact. energy: 0.234
local terms energy: -705.519599
where:
bonds (distance) C4'-P energy: -136.366
bonds (distance) P-C4' energy: -147.811
flat angles C4'-P-C4' energy: -154.241
flat angles P-C4'-P energy: -103.554
tors. eta vs tors. theta energy: -163.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1693.025414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.025414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.025414 (E_RNA)
where:
Base-Base interactions energy: -1065.072
where: short stacking energy: -510.163
Base-Backbone interact. energy: 1.123
local terms energy: -629.076874
where:
bonds (distance) C4'-P energy: -154.598
bonds (distance) P-C4' energy: -139.652
flat angles C4'-P-C4' energy: -148.488
flat angles P-C4'-P energy: -89.983
tors. eta vs tors. theta energy: -96.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1457.588429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.588429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.588429 (E_RNA)
where:
Base-Base interactions energy: -878.281
where: short stacking energy: -372.985
Base-Backbone interact. energy: -2.753
local terms energy: -576.554238
where:
bonds (distance) C4'-P energy: -152.827
bonds (distance) P-C4' energy: -151.742
flat angles C4'-P-C4' energy: -146.205
flat angles P-C4'-P energy: -89.935
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1114.572487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.572487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.572487 (E_RNA)
where:
Base-Base interactions energy: -630.950
where: short stacking energy: -322.348
Base-Backbone interact. energy: 1.564
local terms energy: -485.186984
where:
bonds (distance) C4'-P energy: -134.066
bonds (distance) P-C4' energy: -152.426
flat angles C4'-P-C4' energy: -133.644
flat angles P-C4'-P energy: -74.200
tors. eta vs tors. theta energy: 9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -863.267202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.267202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.267202 (E_RNA)
where:
Base-Base interactions energy: -411.785
where: short stacking energy: -243.076
Base-Backbone interact. energy: 2.589
local terms energy: -454.070888
where:
bonds (distance) C4'-P energy: -140.141
bonds (distance) P-C4' energy: -130.976
flat angles C4'-P-C4' energy: -138.623
flat angles P-C4'-P energy: -68.956
tors. eta vs tors. theta energy: 24.624
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: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -3088.553912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3088.553912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3088.553912 (E_RNA)
where:
Base-Base interactions energy: -2165.361
where: short stacking energy: -879.058
Base-Backbone interact. energy: 5.780
local terms energy: -928.972796
where:
bonds (distance) C4'-P energy: -173.838
bonds (distance) P-C4' energy: -177.223
flat angles C4'-P-C4' energy: -192.715
flat angles P-C4'-P energy: -135.196
tors. eta vs tors. theta energy: -250.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2966.911109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2966.911109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.911109 (E_RNA)
where:
Base-Base interactions energy: -2030.926
where: short stacking energy: -862.414
Base-Backbone interact. energy: -5.770
local terms energy: -930.214979
where:
bonds (distance) C4'-P energy: -177.930
bonds (distance) P-C4' energy: -188.247
flat angles C4'-P-C4' energy: -194.441
flat angles P-C4'-P energy: -125.817
tors. eta vs tors. theta energy: -243.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2770.836652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.836652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.836652 (E_RNA)
where:
Base-Base interactions energy: -1860.737
where: short stacking energy: -800.505
Base-Backbone interact. energy: -3.324
local terms energy: -906.776072
where:
bonds (distance) C4'-P energy: -155.074
bonds (distance) P-C4' energy: -192.708
flat angles C4'-P-C4' energy: -202.702
flat angles P-C4'-P energy: -124.438
tors. eta vs tors. theta energy: -231.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2599.741980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.741980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.741980 (E_RNA)
where:
Base-Base interactions energy: -1747.980
where: short stacking energy: -754.364
Base-Backbone interact. energy: -2.036
local terms energy: -849.726529
where:
bonds (distance) C4'-P energy: -162.045
bonds (distance) P-C4' energy: -173.271
flat angles C4'-P-C4' energy: -184.703
flat angles P-C4'-P energy: -122.183
tors. eta vs tors. theta energy: -207.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2416.769974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.769974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.769974 (E_RNA)
where:
Base-Base interactions energy: -1631.213
where: short stacking energy: -688.228
Base-Backbone interact. energy: 2.105
local terms energy: -787.662503
where:
bonds (distance) C4'-P energy: -174.536
bonds (distance) P-C4' energy: -141.607
flat angles C4'-P-C4' energy: -165.456
flat angles P-C4'-P energy: -108.714
tors. eta vs tors. theta energy: -197.349
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: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2055.383232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.383232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.383232 (E_RNA)
where:
Base-Base interactions energy: -1353.511
where: short stacking energy: -596.708
Base-Backbone interact. energy: -3.605
local terms energy: -698.266715
where:
bonds (distance) C4'-P energy: -152.385
bonds (distance) P-C4' energy: -151.214
flat angles C4'-P-C4' energy: -166.310
flat angles P-C4'-P energy: -104.757
tors. eta vs tors. theta energy: -123.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1730.825880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.825880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.825880 (E_RNA)
where:
Base-Base interactions energy: -1079.723
where: short stacking energy: -494.307
Base-Backbone interact. energy: -1.235
local terms energy: -649.867908
where:
bonds (distance) C4'-P energy: -145.590
bonds (distance) P-C4' energy: -163.173
flat angles C4'-P-C4' energy: -143.791
flat angles P-C4'-P energy: -109.480
tors. eta vs tors. theta energy: -87.833
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: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1454.914444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.914444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.914444 (E_RNA)
where:
Base-Base interactions energy: -874.054
where: short stacking energy: -419.451
Base-Backbone interact. energy: -3.006
local terms energy: -577.854441
where:
bonds (distance) C4'-P energy: -130.308
bonds (distance) P-C4' energy: -151.196
flat angles C4'-P-C4' energy: -158.275
flat angles P-C4'-P energy: -83.379
tors. eta vs tors. theta energy: -54.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1057.250514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.250514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.250514 (E_RNA)
where:
Base-Base interactions energy: -556.426
where: short stacking energy: -279.077
Base-Backbone interact. energy: 4.194
local terms energy: -505.018012
where:
bonds (distance) C4'-P energy: -150.353
bonds (distance) P-C4' energy: -142.823
flat angles C4'-P-C4' energy: -137.893
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -826.633716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.633716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.633716 (E_RNA)
where:
Base-Base interactions energy: -364.403
where: short stacking energy: -222.728
Base-Backbone interact. energy: -0.343
local terms energy: -461.887611
where:
bonds (distance) C4'-P energy: -149.314
bonds (distance) P-C4' energy: -155.450
flat angles C4'-P-C4' energy: -104.902
flat angles P-C4'-P energy: -81.185
tors. eta vs tors. theta energy: 28.963
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: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -3035.077855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.077855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.077855 (E_RNA)
where:
Base-Base interactions energy: -2095.858
where: short stacking energy: -830.926
Base-Backbone interact. energy: 5.527
local terms energy: -944.746346
where:
bonds (distance) C4'-P energy: -176.964
bonds (distance) P-C4' energy: -167.649
flat angles C4'-P-C4' energy: -204.280
flat angles P-C4'-P energy: -148.990
tors. eta vs tors. theta energy: -246.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2975.413654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.413654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.413654 (E_RNA)
where:
Base-Base interactions energy: -2006.055
where: short stacking energy: -864.124
Base-Backbone interact. energy: -2.546
local terms energy: -966.812591
where:
bonds (distance) C4'-P energy: -192.521
bonds (distance) P-C4' energy: -182.116
flat angles C4'-P-C4' energy: -210.058
flat angles P-C4'-P energy: -127.985
tors. eta vs tors. theta energy: -254.133
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2779.081824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.081824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.081824 (E_RNA)
where:
Base-Base interactions energy: -1875.152
where: short stacking energy: -796.167
Base-Backbone interact. energy: -3.484
local terms energy: -900.445485
where:
bonds (distance) C4'-P energy: -161.616
bonds (distance) P-C4' energy: -181.269
flat angles C4'-P-C4' energy: -198.120
flat angles P-C4'-P energy: -112.384
tors. eta vs tors. theta energy: -247.057
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: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2610.393541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.393541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.393541 (E_RNA)
where:
Base-Base interactions energy: -1777.778
where: short stacking energy: -764.022
Base-Backbone interact. energy: -3.957
local terms energy: -828.659225
where:
bonds (distance) C4'-P energy: -146.829
bonds (distance) P-C4' energy: -168.379
flat angles C4'-P-C4' energy: -188.103
flat angles P-C4'-P energy: -120.025
tors. eta vs tors. theta energy: -205.324
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: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2380.816016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.816016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.816016 (E_RNA)
where:
Base-Base interactions energy: -1583.198
where: short stacking energy: -698.209
Base-Backbone interact. energy: 2.724
local terms energy: -800.342385
where:
bonds (distance) C4'-P energy: -158.338
bonds (distance) P-C4' energy: -168.047
flat angles C4'-P-C4' energy: -180.869
flat angles P-C4'-P energy: -106.758
tors. eta vs tors. theta energy: -186.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2081.553465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.553465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.553465 (E_RNA)
where:
Base-Base interactions energy: -1333.803
where: short stacking energy: -581.853
Base-Backbone interact. energy: -4.747
local terms energy: -743.003309
where:
bonds (distance) C4'-P energy: -169.847
bonds (distance) P-C4' energy: -153.495
flat angles C4'-P-C4' energy: -178.637
flat angles P-C4'-P energy: -100.241
tors. eta vs tors. theta energy: -140.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1800.826864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.826864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.826864 (E_RNA)
where:
Base-Base interactions energy: -1160.092
where: short stacking energy: -530.598
Base-Backbone interact. energy: -5.318
local terms energy: -635.417427
where:
bonds (distance) C4'-P energy: -139.207
bonds (distance) P-C4' energy: -143.644
flat angles C4'-P-C4' energy: -156.427
flat angles P-C4'-P energy: -104.421
tors. eta vs tors. theta energy: -91.718
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: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1426.527260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.527260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.527260 (E_RNA)
where:
Base-Base interactions energy: -865.885
where: short stacking energy: -396.466
Base-Backbone interact. energy: -0.298
local terms energy: -560.344168
where:
bonds (distance) C4'-P energy: -135.300
bonds (distance) P-C4' energy: -171.809
flat angles C4'-P-C4' energy: -149.539
flat angles P-C4'-P energy: -59.537
tors. eta vs tors. theta energy: -44.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1076.050235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.050235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.050235 (E_RNA)
where:
Base-Base interactions energy: -564.453
where: short stacking energy: -297.067
Base-Backbone interact. energy: 2.825
local terms energy: -514.422447
where:
bonds (distance) C4'-P energy: -133.299
bonds (distance) P-C4' energy: -157.892
flat angles C4'-P-C4' energy: -131.194
flat angles P-C4'-P energy: -94.604
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -767.205826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.205826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.205826 (E_RNA)
where:
Base-Base interactions energy: -318.068
where: short stacking energy: -189.744
Base-Backbone interact. energy: 0.697
local terms energy: -449.835354
where:
bonds (distance) C4'-P energy: -129.008
bonds (distance) P-C4' energy: -135.714
flat angles C4'-P-C4' energy: -126.441
flat angles P-C4'-P energy: -75.137
tors. eta vs tors. theta energy: 16.465
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: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -3025.238450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.238450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.238450 (E_RNA)
where:
Base-Base interactions energy: -2083.972
where: short stacking energy: -870.820
Base-Backbone interact. energy: -2.200
local terms energy: -939.065653
where:
bonds (distance) C4'-P energy: -181.247
bonds (distance) P-C4' energy: -189.219
flat angles C4'-P-C4' energy: -199.300
flat angles P-C4'-P energy: -119.028
tors. eta vs tors. theta energy: -250.272
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: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2892.925877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.925877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.925877 (E_RNA)
where:
Base-Base interactions energy: -1958.698
where: short stacking energy: -824.346
Base-Backbone interact. energy: -7.145
local terms energy: -927.083197
where:
bonds (distance) C4'-P energy: -177.827
bonds (distance) P-C4' energy: -182.213
flat angles C4'-P-C4' energy: -194.106
flat angles P-C4'-P energy: -114.096
tors. eta vs tors. theta energy: -258.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2782.776884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.776884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.776884 (E_RNA)
where:
Base-Base interactions energy: -1903.673
where: short stacking energy: -821.287
Base-Backbone interact. energy: -3.545
local terms energy: -875.558611
where:
bonds (distance) C4'-P energy: -149.484
bonds (distance) P-C4' energy: -162.149
flat angles C4'-P-C4' energy: -194.293
flat angles P-C4'-P energy: -116.797
tors. eta vs tors. theta energy: -252.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2595.046605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.046605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.046605 (E_RNA)
where:
Base-Base interactions energy: -1750.513
where: short stacking energy: -737.045
Base-Backbone interact. energy: -3.874
local terms energy: -840.659938
where:
bonds (distance) C4'-P energy: -163.662
bonds (distance) P-C4' energy: -160.905
flat angles C4'-P-C4' energy: -194.220
flat angles P-C4'-P energy: -123.223
tors. eta vs tors. theta energy: -198.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2345.220495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.220495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.220495 (E_RNA)
where:
Base-Base interactions energy: -1608.830
where: short stacking energy: -674.873
Base-Backbone interact. energy: 2.038
local terms energy: -738.428935
where:
bonds (distance) C4'-P energy: -140.525
bonds (distance) P-C4' energy: -154.969
flat angles C4'-P-C4' energy: -171.205
flat angles P-C4'-P energy: -94.044
tors. eta vs tors. theta energy: -177.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2017.114505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.114505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.114505 (E_RNA)
where:
Base-Base interactions energy: -1316.595
where: short stacking energy: -580.141
Base-Backbone interact. energy: -4.761
local terms energy: -695.758390
where:
bonds (distance) C4'-P energy: -143.010
bonds (distance) P-C4' energy: -162.989
flat angles C4'-P-C4' energy: -159.705
flat angles P-C4'-P energy: -79.130
tors. eta vs tors. theta energy: -150.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1817.851588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.851588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.851588 (E_RNA)
where:
Base-Base interactions energy: -1153.097
where: short stacking energy: -566.627
Base-Backbone interact. energy: -4.210
local terms energy: -660.544677
where:
bonds (distance) C4'-P energy: -140.339
bonds (distance) P-C4' energy: -158.165
flat angles C4'-P-C4' energy: -146.566
flat angles P-C4'-P energy: -111.760
tors. eta vs tors. theta energy: -103.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1445.625723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.625723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.625723 (E_RNA)
where:
Base-Base interactions energy: -862.598
where: short stacking energy: -412.713
Base-Backbone interact. energy: -2.710
local terms energy: -580.316808
where:
bonds (distance) C4'-P energy: -147.835
bonds (distance) P-C4' energy: -157.387
flat angles C4'-P-C4' energy: -140.818
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -47.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1097.809569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.809569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.809569 (E_RNA)
where:
Base-Base interactions energy: -624.036
where: short stacking energy: -338.832
Base-Backbone interact. energy: 0.835
local terms energy: -474.608644
where:
bonds (distance) C4'-P energy: -130.812
bonds (distance) P-C4' energy: -117.901
flat angles C4'-P-C4' energy: -146.480
flat angles P-C4'-P energy: -79.406
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -765.802635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.802635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.802635 (E_RNA)
where:
Base-Base interactions energy: -321.290
where: short stacking energy: -218.177
Base-Backbone interact. energy: -1.067
local terms energy: -443.445696
where:
bonds (distance) C4'-P energy: -130.564
bonds (distance) P-C4' energy: -146.004
flat angles C4'-P-C4' energy: -121.414
flat angles P-C4'-P energy: -76.332
tors. eta vs tors. theta energy: 30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -3064.880781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3064.880781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3064.880781 (E_RNA)
where:
Base-Base interactions energy: -2090.329
where: short stacking energy: -884.775
Base-Backbone interact. energy: -5.064
local terms energy: -969.487534
where:
bonds (distance) C4'-P energy: -173.852
bonds (distance) P-C4' energy: -180.307
flat angles C4'-P-C4' energy: -212.835
flat angles P-C4'-P energy: -145.534
tors. eta vs tors. theta energy: -256.959
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: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2910.286825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.286825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.286825 (E_RNA)
where:
Base-Base interactions energy: -1986.962
where: short stacking energy: -861.240
Base-Backbone interact. energy: -3.090
local terms energy: -920.235374
where:
bonds (distance) C4'-P energy: -168.532
bonds (distance) P-C4' energy: -167.984
flat angles C4'-P-C4' energy: -204.091
flat angles P-C4'-P energy: -135.135
tors. eta vs tors. theta energy: -244.493
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: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2720.831658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.831658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.831658 (E_RNA)
where:
Base-Base interactions energy: -1817.008
where: short stacking energy: -770.730
Base-Backbone interact. energy: -0.190
local terms energy: -903.634358
where:
bonds (distance) C4'-P energy: -162.341
bonds (distance) P-C4' energy: -162.001
flat angles C4'-P-C4' energy: -194.724
flat angles P-C4'-P energy: -150.432
tors. eta vs tors. theta energy: -234.137
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: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2622.577112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.577112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.577112 (E_RNA)
where:
Base-Base interactions energy: -1766.428
where: short stacking energy: -728.252
Base-Backbone interact. energy: -2.043
local terms energy: -854.106123
where:
bonds (distance) C4'-P energy: -167.749
bonds (distance) P-C4' energy: -181.334
flat angles C4'-P-C4' energy: -194.772
flat angles P-C4'-P energy: -103.367
tors. eta vs tors. theta energy: -206.884
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: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2449.676367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.676367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.676367 (E_RNA)
where:
Base-Base interactions energy: -1658.760
where: short stacking energy: -711.008
Base-Backbone interact. energy: -2.409
local terms energy: -788.508199
where:
bonds (distance) C4'-P energy: -160.497
bonds (distance) P-C4' energy: -160.996
flat angles C4'-P-C4' energy: -167.302
flat angles P-C4'-P energy: -98.191
tors. eta vs tors. theta energy: -201.522
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: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2043.445668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.445668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.445668 (E_RNA)
where:
Base-Base interactions energy: -1311.913
where: short stacking energy: -583.773
Base-Backbone interact. energy: -1.625
local terms energy: -729.907851
where:
bonds (distance) C4'-P energy: -144.595
bonds (distance) P-C4' energy: -162.171
flat angles C4'-P-C4' energy: -165.344
flat angles P-C4'-P energy: -116.692
tors. eta vs tors. theta energy: -141.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1836.052315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.052315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.052315 (E_RNA)
where:
Base-Base interactions energy: -1178.983
where: short stacking energy: -540.116
Base-Backbone interact. energy: -0.498
local terms energy: -656.570924
where:
bonds (distance) C4'-P energy: -143.917
bonds (distance) P-C4' energy: -163.481
flat angles C4'-P-C4' energy: -149.739
flat angles P-C4'-P energy: -97.430
tors. eta vs tors. theta energy: -102.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1466.818053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.818053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.818053 (E_RNA)
where:
Base-Base interactions energy: -897.996
where: short stacking energy: -444.493
Base-Backbone interact. energy: -1.395
local terms energy: -567.426811
where:
bonds (distance) C4'-P energy: -116.767
bonds (distance) P-C4' energy: -167.591
flat angles C4'-P-C4' energy: -121.872
flat angles P-C4'-P energy: -89.617
tors. eta vs tors. theta energy: -71.579
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: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1151.775845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.775845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.775845 (E_RNA)
where:
Base-Base interactions energy: -620.182
where: short stacking energy: -352.240
Base-Backbone interact. energy: 2.009
local terms energy: -533.602831
where:
bonds (distance) C4'-P energy: -129.810
bonds (distance) P-C4' energy: -148.921
flat angles C4'-P-C4' energy: -143.749
flat angles P-C4'-P energy: -96.084
tors. eta vs tors. theta energy: -15.040
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: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -737.468478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.468478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.468478 (E_RNA)
where:
Base-Base interactions energy: -266.620
where: short stacking energy: -182.797
Base-Backbone interact. energy: -0.702
local terms energy: -470.146578
where:
bonds (distance) C4'-P energy: -135.850
bonds (distance) P-C4' energy: -163.826
flat angles C4'-P-C4' energy: -123.771
flat angles P-C4'-P energy: -75.235
tors. eta vs tors. theta energy: 28.536
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: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -3050.407463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.407463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.407463 (E_RNA)
where:
Base-Base interactions energy: -2134.139
where: short stacking energy: -857.913
Base-Backbone interact. energy: 2.695
local terms energy: -918.963371
where:
bonds (distance) C4'-P energy: -167.772
bonds (distance) P-C4' energy: -174.344
flat angles C4'-P-C4' energy: -201.502
flat angles P-C4'-P energy: -127.175
tors. eta vs tors. theta energy: -248.169
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: 282
Temperature: 0.950000
Total energy: -2884.141965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.141965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.141965 (E_RNA)
where:
Base-Base interactions energy: -1944.650
where: short stacking energy: -867.556
Base-Backbone interact. energy: -0.848
local terms energy: -938.643936
where:
bonds (distance) C4'-P energy: -159.803
bonds (distance) P-C4' energy: -175.718
flat angles C4'-P-C4' energy: -194.278
flat angles P-C4'-P energy: -134.964
tors. eta vs tors. theta energy: -273.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2745.082051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.082051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.082051 (E_RNA)
where:
Base-Base interactions energy: -1842.052
where: short stacking energy: -779.583
Base-Backbone interact. energy: -3.531
local terms energy: -899.499034
where:
bonds (distance) C4'-P energy: -169.112
bonds (distance) P-C4' energy: -173.837
flat angles C4'-P-C4' energy: -208.023
flat angles P-C4'-P energy: -123.766
tors. eta vs tors. theta energy: -224.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2597.500894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.500894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.500894 (E_RNA)
where:
Base-Base interactions energy: -1764.307
where: short stacking energy: -752.129
Base-Backbone interact. energy: -5.210
local terms energy: -827.983287
where:
bonds (distance) C4'-P energy: -150.062
bonds (distance) P-C4' energy: -173.142
flat angles C4'-P-C4' energy: -179.308
flat angles P-C4'-P energy: -113.724
tors. eta vs tors. theta energy: -211.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2389.424616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.424616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.424616 (E_RNA)
where:
Base-Base interactions energy: -1604.875
where: short stacking energy: -707.282
Base-Backbone interact. energy: -3.898
local terms energy: -780.651305
where:
bonds (distance) C4'-P energy: -150.886
bonds (distance) P-C4' energy: -161.756
flat angles C4'-P-C4' energy: -175.135
flat angles P-C4'-P energy: -110.629
tors. eta vs tors. theta energy: -182.245
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: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2055.437648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.437648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.437648 (E_RNA)
where:
Base-Base interactions energy: -1316.662
where: short stacking energy: -594.777
Base-Backbone interact. energy: -5.303
local terms energy: -733.473327
where:
bonds (distance) C4'-P energy: -162.254
bonds (distance) P-C4' energy: -142.176
flat angles C4'-P-C4' energy: -166.318
flat angles P-C4'-P energy: -114.357
tors. eta vs tors. theta energy: -148.369
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: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1821.698926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.698926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.698926 (E_RNA)
where:
Base-Base interactions energy: -1149.905
where: short stacking energy: -534.009
Base-Backbone interact. energy: -3.386
local terms energy: -668.407706
where:
bonds (distance) C4'-P energy: -138.770
bonds (distance) P-C4' energy: -157.194
flat angles C4'-P-C4' energy: -154.387
flat angles P-C4'-P energy: -99.721
tors. eta vs tors. theta energy: -118.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1453.847415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.847415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.847415 (E_RNA)
where:
Base-Base interactions energy: -856.706
where: short stacking energy: -418.192
Base-Backbone interact. energy: 8.912
local terms energy: -606.052830
where:
bonds (distance) C4'-P energy: -131.952
bonds (distance) P-C4' energy: -160.461
flat angles C4'-P-C4' energy: -140.046
flat angles P-C4'-P energy: -109.987
tors. eta vs tors. theta energy: -63.606
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: 282
Temperature: 1.300000
Total energy: -1142.022795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.022795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.022795 (E_RNA)
where:
Base-Base interactions energy: -631.119
where: short stacking energy: -317.897
Base-Backbone interact. energy: 0.977
local terms energy: -511.880440
where:
bonds (distance) C4'-P energy: -126.387
bonds (distance) P-C4' energy: -146.291
flat angles C4'-P-C4' energy: -138.418
flat angles P-C4'-P energy: -72.808
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -807.589869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.589869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.589869 (E_RNA)
where:
Base-Base interactions energy: -348.354
where: short stacking energy: -222.809
Base-Backbone interact. energy: 0.271
local terms energy: -459.506945
where:
bonds (distance) C4'-P energy: -137.849
bonds (distance) P-C4' energy: -136.009
flat angles C4'-P-C4' energy: -121.215
flat angles P-C4'-P energy: -83.662
tors. eta vs tors. theta energy: 19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -3095.131645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3095.131645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3095.131645 (E_RNA)
where:
Base-Base interactions energy: -2119.272
where: short stacking energy: -879.865
Base-Backbone interact. energy: -4.471
local terms energy: -971.388526
where:
bonds (distance) C4'-P energy: -179.643
bonds (distance) P-C4' energy: -181.654
flat angles C4'-P-C4' energy: -225.232
flat angles P-C4'-P energy: -138.036
tors. eta vs tors. theta energy: -246.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2881.375035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.375035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.375035 (E_RNA)
where:
Base-Base interactions energy: -1959.184
where: short stacking energy: -827.600
Base-Backbone interact. energy: -4.657
local terms energy: -917.534181
where:
bonds (distance) C4'-P energy: -164.829
bonds (distance) P-C4' energy: -169.607
flat angles C4'-P-C4' energy: -194.690
flat angles P-C4'-P energy: -129.337
tors. eta vs tors. theta energy: -259.071
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: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2726.785416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.785416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.785416 (E_RNA)
where:
Base-Base interactions energy: -1816.627
where: short stacking energy: -815.123
Base-Backbone interact. energy: -4.077
local terms energy: -906.082292
where:
bonds (distance) C4'-P energy: -162.725
bonds (distance) P-C4' energy: -179.112
flat angles C4'-P-C4' energy: -187.559
flat angles P-C4'-P energy: -127.498
tors. eta vs tors. theta energy: -249.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2638.200235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.200235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.200235 (E_RNA)
where:
Base-Base interactions energy: -1804.604
where: short stacking energy: -769.388
Base-Backbone interact. energy: -3.636
local terms energy: -829.960158
where:
bonds (distance) C4'-P energy: -170.267
bonds (distance) P-C4' energy: -178.824
flat angles C4'-P-C4' energy: -180.563
flat angles P-C4'-P energy: -102.251
tors. eta vs tors. theta energy: -198.055
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2422.863040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.863040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.863040 (E_RNA)
where:
Base-Base interactions energy: -1621.259
where: short stacking energy: -669.789
Base-Backbone interact. energy: -4.141
local terms energy: -797.463253
where:
bonds (distance) C4'-P energy: -159.040
bonds (distance) P-C4' energy: -163.447
flat angles C4'-P-C4' energy: -174.058
flat angles P-C4'-P energy: -104.485
tors. eta vs tors. theta energy: -196.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2027.655309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.655309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.655309 (E_RNA)
where:
Base-Base interactions energy: -1287.788
where: short stacking energy: -577.610
Base-Backbone interact. energy: -2.789
local terms energy: -737.078176
where:
bonds (distance) C4'-P energy: -140.916
bonds (distance) P-C4' energy: -176.140
flat angles C4'-P-C4' energy: -169.107
flat angles P-C4'-P energy: -116.226
tors. eta vs tors. theta energy: -134.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1778.626623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.626623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.626623 (E_RNA)
where:
Base-Base interactions energy: -1080.410
where: short stacking energy: -477.646
Base-Backbone interact. energy: 6.597
local terms energy: -704.813307
where:
bonds (distance) C4'-P energy: -150.525
bonds (distance) P-C4' energy: -166.338
flat angles C4'-P-C4' energy: -167.775
flat angles P-C4'-P energy: -114.980
tors. eta vs tors. theta energy: -105.195
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1375.286703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.286703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.286703 (E_RNA)
where:
Base-Base interactions energy: -780.591
where: short stacking energy: -374.819
Base-Backbone interact. energy: -6.785
local terms energy: -587.910883
where:
bonds (distance) C4'-P energy: -157.422
bonds (distance) P-C4' energy: -149.854
flat angles C4'-P-C4' energy: -137.358
flat angles P-C4'-P energy: -95.535
tors. eta vs tors. theta energy: -47.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1125.348822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.348822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.348822 (E_RNA)
where:
Base-Base interactions energy: -612.383
where: short stacking energy: -315.331
Base-Backbone interact. energy: 5.174
local terms energy: -518.139247
where:
bonds (distance) C4'-P energy: -135.077
bonds (distance) P-C4' energy: -121.748
flat angles C4'-P-C4' energy: -157.521
flat angles P-C4'-P energy: -89.615
tors. eta vs tors. theta energy: -14.178
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: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -825.045533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.045533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.045533 (E_RNA)
where:
Base-Base interactions energy: -382.383
where: short stacking energy: -236.280
Base-Backbone interact. energy: -7.330
local terms energy: -435.332110
where:
bonds (distance) C4'-P energy: -145.068
bonds (distance) P-C4' energy: -138.447
flat angles C4'-P-C4' energy: -110.775
flat angles P-C4'-P energy: -61.736
tors. eta vs tors. theta energy: 20.693
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: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -3065.405697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3065.405697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3065.405697 (E_RNA)
where:
Base-Base interactions energy: -2110.036
where: short stacking energy: -873.394
Base-Backbone interact. energy: -0.802
local terms energy: -954.567820
where:
bonds (distance) C4'-P energy: -184.322
bonds (distance) P-C4' energy: -175.874
flat angles C4'-P-C4' energy: -203.533
flat angles P-C4'-P energy: -134.599
tors. eta vs tors. theta energy: -256.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2917.601910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.601910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.601910 (E_RNA)
where:
Base-Base interactions energy: -1991.396
where: short stacking energy: -832.147
Base-Backbone interact. energy: -2.918
local terms energy: -923.288170
where:
bonds (distance) C4'-P energy: -165.006
bonds (distance) P-C4' energy: -181.620
flat angles C4'-P-C4' energy: -188.467
flat angles P-C4'-P energy: -136.064
tors. eta vs tors. theta energy: -252.132
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2697.609527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.609527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.609527 (E_RNA)
where:
Base-Base interactions energy: -1825.124
where: short stacking energy: -815.419
Base-Backbone interact. energy: -1.900
local terms energy: -870.585070
where:
bonds (distance) C4'-P energy: -149.967
bonds (distance) P-C4' energy: -172.523
flat angles C4'-P-C4' energy: -196.008
flat angles P-C4'-P energy: -127.259
tors. eta vs tors. theta energy: -224.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2658.507958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.507958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.507958 (E_RNA)
where:
Base-Base interactions energy: -1801.433
where: short stacking energy: -789.542
Base-Backbone interact. energy: -2.194
local terms energy: -854.880958
where:
bonds (distance) C4'-P energy: -158.589
bonds (distance) P-C4' energy: -143.979
flat angles C4'-P-C4' energy: -195.976
flat angles P-C4'-P energy: -125.833
tors. eta vs tors. theta energy: -230.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2404.256607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.256607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.256607 (E_RNA)
where:
Base-Base interactions energy: -1598.265
where: short stacking energy: -683.111
Base-Backbone interact. energy: 3.715
local terms energy: -809.706147
where:
bonds (distance) C4'-P energy: -145.985
bonds (distance) P-C4' energy: -177.407
flat angles C4'-P-C4' energy: -170.479
flat angles P-C4'-P energy: -121.845
tors. eta vs tors. theta energy: -193.989
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: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2032.276280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.276280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.276280 (E_RNA)
where:
Base-Base interactions energy: -1272.272
where: short stacking energy: -576.038
Base-Backbone interact. energy: -5.234
local terms energy: -754.769700
where:
bonds (distance) C4'-P energy: -157.356
bonds (distance) P-C4' energy: -167.099
flat angles C4'-P-C4' energy: -175.460
flat angles P-C4'-P energy: -107.671
tors. eta vs tors. theta energy: -147.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1771.938908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.938908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.938908 (E_RNA)
where:
Base-Base interactions energy: -1109.174
where: short stacking energy: -516.376
Base-Backbone interact. energy: -3.565
local terms energy: -659.199820
where:
bonds (distance) C4'-P energy: -134.541
bonds (distance) P-C4' energy: -159.799
flat angles C4'-P-C4' energy: -174.790
flat angles P-C4'-P energy: -86.953
tors. eta vs tors. theta energy: -103.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1312.815253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.815253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.815253 (E_RNA)
where:
Base-Base interactions energy: -757.833
where: short stacking energy: -366.312
Base-Backbone interact. energy: -0.037
local terms energy: -554.944867
where:
bonds (distance) C4'-P energy: -113.222
bonds (distance) P-C4' energy: -160.502
flat angles C4'-P-C4' energy: -144.883
flat angles P-C4'-P energy: -94.208
tors. eta vs tors. theta energy: -42.130
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1117.948375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.948375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.948375 (E_RNA)
where:
Base-Base interactions energy: -599.048
where: short stacking energy: -326.864
Base-Backbone interact. energy: -1.502
local terms energy: -517.398500
where:
bonds (distance) C4'-P energy: -134.992
bonds (distance) P-C4' energy: -139.538
flat angles C4'-P-C4' energy: -134.964
flat angles P-C4'-P energy: -80.685
tors. eta vs tors. theta energy: -27.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -819.800232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.800232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.800232 (E_RNA)
where:
Base-Base interactions energy: -423.154
where: short stacking energy: -219.534
Base-Backbone interact. energy: 11.505
local terms energy: -408.151330
where:
bonds (distance) C4'-P energy: -99.524
bonds (distance) P-C4' energy: -144.740
flat angles C4'-P-C4' energy: -135.673
flat angles P-C4'-P energy: -55.023
tors. eta vs tors. theta energy: 26.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -3062.622340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.622340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.622340 (E_RNA)
where:
Base-Base interactions energy: -2124.644
where: short stacking energy: -887.575
Base-Backbone interact. energy: -0.432
local terms energy: -937.545966
where:
bonds (distance) C4'-P energy: -170.781
bonds (distance) P-C4' energy: -175.931
flat angles C4'-P-C4' energy: -201.715
flat angles P-C4'-P energy: -141.339
tors. eta vs tors. theta energy: -247.779
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: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2888.426892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.426892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.426892 (E_RNA)
where:
Base-Base interactions energy: -1954.075
where: short stacking energy: -847.275
Base-Backbone interact. energy: -2.158
local terms energy: -932.193835
where:
bonds (distance) C4'-P energy: -163.185
bonds (distance) P-C4' energy: -170.602
flat angles C4'-P-C4' energy: -204.363
flat angles P-C4'-P energy: -140.405
tors. eta vs tors. theta energy: -253.638
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2684.242570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.242570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.242570 (E_RNA)
where:
Base-Base interactions energy: -1831.897
where: short stacking energy: -799.833
Base-Backbone interact. energy: -2.819
local terms energy: -849.526525
where:
bonds (distance) C4'-P energy: -170.725
bonds (distance) P-C4' energy: -169.778
flat angles C4'-P-C4' energy: -188.887
flat angles P-C4'-P energy: -99.671
tors. eta vs tors. theta energy: -220.467
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2691.626486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.626486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.626486 (E_RNA)
where:
Base-Base interactions energy: -1835.149
where: short stacking energy: -793.678
Base-Backbone interact. energy: 1.416
local terms energy: -857.893027
where:
bonds (distance) C4'-P energy: -164.306
bonds (distance) P-C4' energy: -158.369
flat angles C4'-P-C4' energy: -188.376
flat angles P-C4'-P energy: -123.068
tors. eta vs tors. theta energy: -223.774
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: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2451.067710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.067710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.067710 (E_RNA)
where:
Base-Base interactions energy: -1652.483
where: short stacking energy: -711.404
Base-Backbone interact. energy: -3.828
local terms energy: -794.756796
where:
bonds (distance) C4'-P energy: -143.659
bonds (distance) P-C4' energy: -151.564
flat angles C4'-P-C4' energy: -182.387
flat angles P-C4'-P energy: -120.568
tors. eta vs tors. theta energy: -196.579
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: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2028.286284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.286284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.286284 (E_RNA)
where:
Base-Base interactions energy: -1289.358
where: short stacking energy: -591.301
Base-Backbone interact. energy: -4.113
local terms energy: -734.814870
where:
bonds (distance) C4'-P energy: -153.034
bonds (distance) P-C4' energy: -163.669
flat angles C4'-P-C4' energy: -175.246
flat angles P-C4'-P energy: -100.167
tors. eta vs tors. theta energy: -142.698
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: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1782.977535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.977535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.977535 (E_RNA)
where:
Base-Base interactions energy: -1122.175
where: short stacking energy: -536.654
Base-Backbone interact. energy: -5.261
local terms energy: -655.541454
where:
bonds (distance) C4'-P energy: -153.065
bonds (distance) P-C4' energy: -166.130
flat angles C4'-P-C4' energy: -158.940
flat angles P-C4'-P energy: -78.310
tors. eta vs tors. theta energy: -99.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1363.998385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.998385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.998385 (E_RNA)
where:
Base-Base interactions energy: -796.962
where: short stacking energy: -388.660
Base-Backbone interact. energy: 3.426
local terms energy: -570.462991
where:
bonds (distance) C4'-P energy: -141.642
bonds (distance) P-C4' energy: -149.247
flat angles C4'-P-C4' energy: -145.143
flat angles P-C4'-P energy: -97.744
tors. eta vs tors. theta energy: -36.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1127.798707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.798707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.798707 (E_RNA)
where:
Base-Base interactions energy: -610.311
where: short stacking energy: -295.393
Base-Backbone interact. energy: 0.770
local terms energy: -518.257529
where:
bonds (distance) C4'-P energy: -150.285
bonds (distance) P-C4' energy: -141.760
flat angles C4'-P-C4' energy: -129.472
flat angles P-C4'-P energy: -55.367
tors. eta vs tors. theta energy: -41.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -826.006778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.006778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.006778 (E_RNA)
where:
Base-Base interactions energy: -387.962
where: short stacking energy: -224.939
Base-Backbone interact. energy: 4.487
local terms energy: -442.532376
where:
bonds (distance) C4'-P energy: -138.322
bonds (distance) P-C4' energy: -156.742
flat angles C4'-P-C4' energy: -111.212
flat angles P-C4'-P energy: -52.712
tors. eta vs tors. theta energy: 16.455
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: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -3088.285160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3088.285160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3088.285160 (E_RNA)
where:
Base-Base interactions energy: -2126.321
where: short stacking energy: -878.307
Base-Backbone interact. energy: 6.227
local terms energy: -968.190429
where:
bonds (distance) C4'-P energy: -180.908
bonds (distance) P-C4' energy: -189.599
flat angles C4'-P-C4' energy: -208.233
flat angles P-C4'-P energy: -135.937
tors. eta vs tors. theta energy: -253.515
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: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2880.328657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.328657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.328657 (E_RNA)
where:
Base-Base interactions energy: -1945.378
where: short stacking energy: -847.243
Base-Backbone interact. energy: -0.502
local terms energy: -934.448463
where:
bonds (distance) C4'-P energy: -170.734
bonds (distance) P-C4' energy: -181.038
flat angles C4'-P-C4' energy: -195.805
flat angles P-C4'-P energy: -126.947
tors. eta vs tors. theta energy: -259.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2727.187007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.187007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.187007 (E_RNA)
where:
Base-Base interactions energy: -1831.381
where: short stacking energy: -783.363
Base-Backbone interact. energy: 1.662
local terms energy: -897.468289
where:
bonds (distance) C4'-P energy: -168.627
bonds (distance) P-C4' energy: -182.757
flat angles C4'-P-C4' energy: -192.931
flat angles P-C4'-P energy: -118.914
tors. eta vs tors. theta energy: -234.239
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: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2625.008963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.008963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.008963 (E_RNA)
where:
Base-Base interactions energy: -1769.016
where: short stacking energy: -742.450
Base-Backbone interact. energy: 0.003
local terms energy: -855.996011
where:
bonds (distance) C4'-P energy: -153.886
bonds (distance) P-C4' energy: -170.770
flat angles C4'-P-C4' energy: -190.910
flat angles P-C4'-P energy: -129.660
tors. eta vs tors. theta energy: -210.770
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: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2419.881468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.881468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.881468 (E_RNA)
where:
Base-Base interactions energy: -1622.055
where: short stacking energy: -683.995
Base-Backbone interact. energy: 0.636
local terms energy: -798.462749
where:
bonds (distance) C4'-P energy: -145.610
bonds (distance) P-C4' energy: -171.672
flat angles C4'-P-C4' energy: -168.098
flat angles P-C4'-P energy: -111.005
tors. eta vs tors. theta energy: -202.077
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: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2052.048947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.048947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.048947 (E_RNA)
where:
Base-Base interactions energy: -1312.725
where: short stacking energy: -603.150
Base-Backbone interact. energy: -1.987
local terms energy: -737.337592
where:
bonds (distance) C4'-P energy: -150.318
bonds (distance) P-C4' energy: -169.822
flat angles C4'-P-C4' energy: -154.039
flat angles P-C4'-P energy: -117.343
tors. eta vs tors. theta energy: -145.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1787.584726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.584726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.584726 (E_RNA)
where:
Base-Base interactions energy: -1136.824
where: short stacking energy: -485.543
Base-Backbone interact. energy: 3.231
local terms energy: -653.991306
where:
bonds (distance) C4'-P energy: -138.163
bonds (distance) P-C4' energy: -153.467
flat angles C4'-P-C4' energy: -154.096
flat angles P-C4'-P energy: -105.328
tors. eta vs tors. theta energy: -102.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1326.274801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.274801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.274801 (E_RNA)
where:
Base-Base interactions energy: -737.535
where: short stacking energy: -360.414
Base-Backbone interact. energy: -1.360
local terms energy: -587.379942
where:
bonds (distance) C4'-P energy: -156.971
bonds (distance) P-C4' energy: -148.028
flat angles C4'-P-C4' energy: -145.665
flat angles P-C4'-P energy: -100.414
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: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1084.934706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.934706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.934706 (E_RNA)
where:
Base-Base interactions energy: -590.395
where: short stacking energy: -317.551
Base-Backbone interact. energy: 3.459
local terms energy: -497.999082
where:
bonds (distance) C4'-P energy: -143.562
bonds (distance) P-C4' energy: -157.318
flat angles C4'-P-C4' energy: -116.342
flat angles P-C4'-P energy: -63.856
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -829.292781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.292781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.292781 (E_RNA)
where:
Base-Base interactions energy: -395.251
where: short stacking energy: -188.924
Base-Backbone interact. energy: 2.225
local terms energy: -436.267330
where:
bonds (distance) C4'-P energy: -141.407
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -141.963
flat angles P-C4'-P energy: -67.461
tors. eta vs tors. theta energy: 44.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -3074.545288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.545288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.545288 (E_RNA)
where:
Base-Base interactions energy: -2131.603
where: short stacking energy: -857.445
Base-Backbone interact. energy: -2.686
local terms energy: -940.256080
where:
bonds (distance) C4'-P energy: -175.666
bonds (distance) P-C4' energy: -170.170
flat angles C4'-P-C4' energy: -210.974
flat angles P-C4'-P energy: -138.687
tors. eta vs tors. theta energy: -244.759
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: 287
Temperature: 0.950000
Total energy: -2912.682010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.682010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.682010 (E_RNA)
where:
Base-Base interactions energy: -1932.998
where: short stacking energy: -821.619
Base-Backbone interact. energy: -6.441
local terms energy: -973.242814
where:
bonds (distance) C4'-P energy: -181.478
bonds (distance) P-C4' energy: -194.869
flat angles C4'-P-C4' energy: -201.310
flat angles P-C4'-P energy: -136.082
tors. eta vs tors. theta energy: -259.504
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: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2812.769879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.769879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.769879 (E_RNA)
where:
Base-Base interactions energy: -1908.456
where: short stacking energy: -796.621
Base-Backbone interact. energy: -3.383
local terms energy: -900.931151
where:
bonds (distance) C4'-P energy: -163.578
bonds (distance) P-C4' energy: -173.136
flat angles C4'-P-C4' energy: -183.825
flat angles P-C4'-P energy: -132.395
tors. eta vs tors. theta energy: -247.996
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: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2638.001642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.001642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.001642 (E_RNA)
where:
Base-Base interactions energy: -1774.558
where: short stacking energy: -766.915
Base-Backbone interact. energy: -4.553
local terms energy: -858.890098
where:
bonds (distance) C4'-P energy: -176.947
bonds (distance) P-C4' energy: -166.952
flat angles C4'-P-C4' energy: -188.996
flat angles P-C4'-P energy: -117.343
tors. eta vs tors. theta energy: -208.652
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: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2448.942107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.942107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.942107 (E_RNA)
where:
Base-Base interactions energy: -1673.452
where: short stacking energy: -692.138
Base-Backbone interact. energy: 0.787
local terms energy: -776.277470
where:
bonds (distance) C4'-P energy: -168.067
bonds (distance) P-C4' energy: -135.693
flat angles C4'-P-C4' energy: -157.572
flat angles P-C4'-P energy: -124.297
tors. eta vs tors. theta energy: -190.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2036.741811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.741811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.741811 (E_RNA)
where:
Base-Base interactions energy: -1320.661
where: short stacking energy: -592.940
Base-Backbone interact. energy: -0.390
local terms energy: -715.690772
where:
bonds (distance) C4'-P energy: -146.641
bonds (distance) P-C4' energy: -143.367
flat angles C4'-P-C4' energy: -167.935
flat angles P-C4'-P energy: -105.929
tors. eta vs tors. theta energy: -151.820
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: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1836.399318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.399318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.399318 (E_RNA)
where:
Base-Base interactions energy: -1173.437
where: short stacking energy: -555.381
Base-Backbone interact. energy: 0.482
local terms energy: -663.444415
where:
bonds (distance) C4'-P energy: -149.715
bonds (distance) P-C4' energy: -162.091
flat angles C4'-P-C4' energy: -159.579
flat angles P-C4'-P energy: -62.159
tors. eta vs tors. theta energy: -129.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1372.972359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.972359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.972359 (E_RNA)
where:
Base-Base interactions energy: -790.953
where: short stacking energy: -388.878
Base-Backbone interact. energy: 14.822
local terms energy: -596.841230
where:
bonds (distance) C4'-P energy: -158.455
bonds (distance) P-C4' energy: -160.904
flat angles C4'-P-C4' energy: -143.230
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -48.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1149.402379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.402379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.402379 (E_RNA)
where:
Base-Base interactions energy: -608.811
where: short stacking energy: -345.998
Base-Backbone interact. energy: -0.096
local terms energy: -540.495241
where:
bonds (distance) C4'-P energy: -162.777
bonds (distance) P-C4' energy: -152.441
flat angles C4'-P-C4' energy: -119.833
flat angles P-C4'-P energy: -64.096
tors. eta vs tors. theta energy: -41.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -842.381727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.381727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.381727 (E_RNA)
where:
Base-Base interactions energy: -341.072
where: short stacking energy: -199.893
Base-Backbone interact. energy: 0.574
local terms energy: -501.883844
where:
bonds (distance) C4'-P energy: -145.554
bonds (distance) P-C4' energy: -147.307
flat angles C4'-P-C4' energy: -130.846
flat angles P-C4'-P energy: -84.447
tors. eta vs tors. theta energy: 6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2992.097812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.097812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.097812 (E_RNA)
where:
Base-Base interactions energy: -1996.842
where: short stacking energy: -885.119
Base-Backbone interact. energy: -9.373
local terms energy: -985.882433
where:
bonds (distance) C4'-P energy: -167.696
bonds (distance) P-C4' energy: -191.598
flat angles C4'-P-C4' energy: -207.724
flat angles P-C4'-P energy: -145.446
tors. eta vs tors. theta energy: -273.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2972.778599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.778599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.778599 (E_RNA)
where:
Base-Base interactions energy: -2064.715
where: short stacking energy: -863.418
Base-Backbone interact. energy: -3.292
local terms energy: -904.771487
where:
bonds (distance) C4'-P energy: -166.514
bonds (distance) P-C4' energy: -180.378
flat angles C4'-P-C4' energy: -198.874
flat angles P-C4'-P energy: -115.718
tors. eta vs tors. theta energy: -243.288
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: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2778.066502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.066502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.066502 (E_RNA)
where:
Base-Base interactions energy: -1872.237
where: short stacking energy: -813.832
Base-Backbone interact. energy: -1.760
local terms energy: -904.069953
where:
bonds (distance) C4'-P energy: -163.136
bonds (distance) P-C4' energy: -173.313
flat angles C4'-P-C4' energy: -192.090
flat angles P-C4'-P energy: -120.833
tors. eta vs tors. theta energy: -254.699
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: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2658.196938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.196938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.196938 (E_RNA)
where:
Base-Base interactions energy: -1840.318
where: short stacking energy: -772.790
Base-Backbone interact. energy: 0.760
local terms energy: -818.638991
where:
bonds (distance) C4'-P energy: -150.584
bonds (distance) P-C4' energy: -167.713
flat angles C4'-P-C4' energy: -171.623
flat angles P-C4'-P energy: -103.272
tors. eta vs tors. theta energy: -225.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2461.809697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.809697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.809697 (E_RNA)
where:
Base-Base interactions energy: -1668.536
where: short stacking energy: -693.788
Base-Backbone interact. energy: -4.705
local terms energy: -788.568702
where:
bonds (distance) C4'-P energy: -154.073
bonds (distance) P-C4' energy: -170.326
flat angles C4'-P-C4' energy: -157.199
flat angles P-C4'-P energy: -117.563
tors. eta vs tors. theta energy: -189.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1993.159734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.159734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.159734 (E_RNA)
where:
Base-Base interactions energy: -1269.092
where: short stacking energy: -554.523
Base-Backbone interact. energy: 0.065
local terms energy: -724.132653
where:
bonds (distance) C4'-P energy: -142.407
bonds (distance) P-C4' energy: -175.861
flat angles C4'-P-C4' energy: -157.484
flat angles P-C4'-P energy: -117.009
tors. eta vs tors. theta energy: -131.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1868.754737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.754737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.754737 (E_RNA)
where:
Base-Base interactions energy: -1186.922
where: short stacking energy: -522.241
Base-Backbone interact. energy: -0.631
local terms energy: -681.201643
where:
bonds (distance) C4'-P energy: -156.616
bonds (distance) P-C4' energy: -146.629
flat angles C4'-P-C4' energy: -155.014
flat angles P-C4'-P energy: -99.396
tors. eta vs tors. theta energy: -123.546
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: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1356.317251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.317251 (E_RNA)
where:
Base-Base interactions energy: -803.833
where: short stacking energy: -397.845
Base-Backbone interact. energy: -0.927
local terms energy: -551.557174
where:
bonds (distance) C4'-P energy: -151.062
bonds (distance) P-C4' energy: -158.329
flat angles C4'-P-C4' energy: -130.958
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -46.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1164.639325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.639325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.639325 (E_RNA)
where:
Base-Base interactions energy: -641.285
where: short stacking energy: -357.350
Base-Backbone interact. energy: 2.447
local terms energy: -525.801595
where:
bonds (distance) C4'-P energy: -141.514
bonds (distance) P-C4' energy: -162.498
flat angles C4'-P-C4' energy: -119.942
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -844.530925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.530925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.530925 (E_RNA)
where:
Base-Base interactions energy: -388.882
where: short stacking energy: -243.158
Base-Backbone interact. energy: -0.361
local terms energy: -455.287977
where:
bonds (distance) C4'-P energy: -141.849
bonds (distance) P-C4' energy: -148.296
flat angles C4'-P-C4' energy: -124.476
flat angles P-C4'-P energy: -55.311
tors. eta vs tors. theta energy: 14.645
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: 289
Temperature: 0.900000
Total energy: -3012.264769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.264769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.264769 (E_RNA)
where:
Base-Base interactions energy: -2038.729
where: short stacking energy: -896.991
Base-Backbone interact. energy: -7.830
local terms energy: -965.705516
where:
bonds (distance) C4'-P energy: -178.282
bonds (distance) P-C4' energy: -177.209
flat angles C4'-P-C4' energy: -205.330
flat angles P-C4'-P energy: -131.777
tors. eta vs tors. theta energy: -273.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2964.095476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.095476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.095476 (E_RNA)
where:
Base-Base interactions energy: -2024.205
where: short stacking energy: -839.128
Base-Backbone interact. energy: -3.492
local terms energy: -936.398001
where:
bonds (distance) C4'-P energy: -180.085
bonds (distance) P-C4' energy: -173.783
flat angles C4'-P-C4' energy: -188.867
flat angles P-C4'-P energy: -147.604
tors. eta vs tors. theta energy: -246.058
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: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2766.260991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.260991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.260991 (E_RNA)
where:
Base-Base interactions energy: -1850.382
where: short stacking energy: -802.509
Base-Backbone interact. energy: -2.190
local terms energy: -913.688673
where:
bonds (distance) C4'-P energy: -178.838
bonds (distance) P-C4' energy: -179.965
flat angles C4'-P-C4' energy: -189.987
flat angles P-C4'-P energy: -118.949
tors. eta vs tors. theta energy: -245.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2607.751488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.751488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.751488 (E_RNA)
where:
Base-Base interactions energy: -1742.591
where: short stacking energy: -752.477
Base-Backbone interact. energy: -2.704
local terms energy: -862.457033
where:
bonds (distance) C4'-P energy: -153.351
bonds (distance) P-C4' energy: -169.516
flat angles C4'-P-C4' energy: -199.527
flat angles P-C4'-P energy: -118.370
tors. eta vs tors. theta energy: -221.693
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: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2503.227914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.227914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.227914 (E_RNA)
where:
Base-Base interactions energy: -1693.153
where: short stacking energy: -697.138
Base-Backbone interact. energy: -1.012
local terms energy: -809.063206
where:
bonds (distance) C4'-P energy: -162.168
bonds (distance) P-C4' energy: -160.858
flat angles C4'-P-C4' energy: -186.408
flat angles P-C4'-P energy: -109.904
tors. eta vs tors. theta energy: -189.724
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: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1970.130708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.130708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.130708 (E_RNA)
where:
Base-Base interactions energy: -1267.830
where: short stacking energy: -553.867
Base-Backbone interact. energy: 2.756
local terms energy: -705.056955
where:
bonds (distance) C4'-P energy: -160.294
bonds (distance) P-C4' energy: -166.205
flat angles C4'-P-C4' energy: -147.265
flat angles P-C4'-P energy: -106.346
tors. eta vs tors. theta energy: -124.947
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: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1927.935512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.935512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.935512 (E_RNA)
where:
Base-Base interactions energy: -1192.720
where: short stacking energy: -570.314
Base-Backbone interact. energy: 0.835
local terms energy: -736.050667
where:
bonds (distance) C4'-P energy: -167.800
bonds (distance) P-C4' energy: -150.642
flat angles C4'-P-C4' energy: -192.739
flat angles P-C4'-P energy: -110.015
tors. eta vs tors. theta energy: -114.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1229.465484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.465484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.465484 (E_RNA)
where:
Base-Base interactions energy: -709.004
where: short stacking energy: -344.196
Base-Backbone interact. energy: -2.082
local terms energy: -518.379662
where:
bonds (distance) C4'-P energy: -140.076
bonds (distance) P-C4' energy: -146.422
flat angles C4'-P-C4' energy: -103.253
flat angles P-C4'-P energy: -86.214
tors. eta vs tors. theta energy: -42.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1092.313756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.313756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.313756 (E_RNA)
where:
Base-Base interactions energy: -584.101
where: short stacking energy: -299.841
Base-Backbone interact. energy: 1.020
local terms energy: -509.233127
where:
bonds (distance) C4'-P energy: -143.010
bonds (distance) P-C4' energy: -136.551
flat angles C4'-P-C4' energy: -131.707
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -851.776064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.776064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.776064 (E_RNA)
where:
Base-Base interactions energy: -402.191
where: short stacking energy: -252.815
Base-Backbone interact. energy: -1.936
local terms energy: -447.649370
where:
bonds (distance) C4'-P energy: -129.795
bonds (distance) P-C4' energy: -126.575
flat angles C4'-P-C4' energy: -123.650
flat angles P-C4'-P energy: -77.437
tors. eta vs tors. theta energy: 9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -3003.186747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.186747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.186747 (E_RNA)
where:
Base-Base interactions energy: -2048.338
where: short stacking energy: -868.686
Base-Backbone interact. energy: 1.656
local terms energy: -956.505634
where:
bonds (distance) C4'-P energy: -178.649
bonds (distance) P-C4' energy: -190.927
flat angles C4'-P-C4' energy: -201.373
flat angles P-C4'-P energy: -119.289
tors. eta vs tors. theta energy: -266.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2990.520856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.520856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.520856 (E_RNA)
where:
Base-Base interactions energy: -2077.589
where: short stacking energy: -834.972
Base-Backbone interact. energy: -6.515
local terms energy: -906.417328
where:
bonds (distance) C4'-P energy: -166.283
bonds (distance) P-C4' energy: -186.858
flat angles C4'-P-C4' energy: -194.290
flat angles P-C4'-P energy: -123.861
tors. eta vs tors. theta energy: -235.125
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: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2809.663708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.663708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.663708 (E_RNA)
where:
Base-Base interactions energy: -1901.465
where: short stacking energy: -811.449
Base-Backbone interact. energy: -0.375
local terms energy: -907.823084
where:
bonds (distance) C4'-P energy: -168.336
bonds (distance) P-C4' energy: -171.387
flat angles C4'-P-C4' energy: -186.748
flat angles P-C4'-P energy: -129.722
tors. eta vs tors. theta energy: -251.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2591.548177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.548177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.548177 (E_RNA)
where:
Base-Base interactions energy: -1776.314
where: short stacking energy: -727.556
Base-Backbone interact. energy: 1.538
local terms energy: -816.772232
where:
bonds (distance) C4'-P energy: -161.612
bonds (distance) P-C4' energy: -169.844
flat angles C4'-P-C4' energy: -173.339
flat angles P-C4'-P energy: -109.554
tors. eta vs tors. theta energy: -202.423
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: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2519.187711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.187711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.187711 (E_RNA)
where:
Base-Base interactions energy: -1693.341
where: short stacking energy: -726.464
Base-Backbone interact. energy: -0.739
local terms energy: -825.107550
where:
bonds (distance) C4'-P energy: -154.017
bonds (distance) P-C4' energy: -159.111
flat angles C4'-P-C4' energy: -188.485
flat angles P-C4'-P energy: -119.273
tors. eta vs tors. theta energy: -204.221
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: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1952.371763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.371763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.371763 (E_RNA)
where:
Base-Base interactions energy: -1274.616
where: short stacking energy: -535.169
Base-Backbone interact. energy: 0.814
local terms energy: -678.569655
where:
bonds (distance) C4'-P energy: -135.148
bonds (distance) P-C4' energy: -151.438
flat angles C4'-P-C4' energy: -153.805
flat angles P-C4'-P energy: -99.138
tors. eta vs tors. theta energy: -139.040
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: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1807.446915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.446915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.446915 (E_RNA)
where:
Base-Base interactions energy: -1116.469
where: short stacking energy: -508.465
Base-Backbone interact. energy: -1.773
local terms energy: -689.205192
where:
bonds (distance) C4'-P energy: -148.263
bonds (distance) P-C4' energy: -152.554
flat angles C4'-P-C4' energy: -185.377
flat angles P-C4'-P energy: -100.046
tors. eta vs tors. theta energy: -102.964
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: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1303.255353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.255353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.255353 (E_RNA)
where:
Base-Base interactions energy: -717.642
where: short stacking energy: -391.063
Base-Backbone interact. energy: -0.881
local terms energy: -584.732732
where:
bonds (distance) C4'-P energy: -162.741
bonds (distance) P-C4' energy: -149.258
flat angles C4'-P-C4' energy: -148.220
flat angles P-C4'-P energy: -84.124
tors. eta vs tors. theta energy: -40.390
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: 290
Temperature: 1.300000
Total energy: -1111.979161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.979161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.979161 (E_RNA)
where:
Base-Base interactions energy: -565.776
where: short stacking energy: -296.140
Base-Backbone interact. energy: 0.246
local terms energy: -546.448969
where:
bonds (distance) C4'-P energy: -149.917
bonds (distance) P-C4' energy: -161.109
flat angles C4'-P-C4' energy: -135.902
flat angles P-C4'-P energy: -97.320
tors. eta vs tors. theta energy: -2.202
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: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -881.971646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.971646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.971646 (E_RNA)
where:
Base-Base interactions energy: -409.637
where: short stacking energy: -233.401
Base-Backbone interact. energy: -1.567
local terms energy: -470.767804
where:
bonds (distance) C4'-P energy: -135.654
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -141.133
flat angles P-C4'-P energy: -73.825
tors. eta vs tors. theta energy: 9.259
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: 291
Temperature: 0.900000
Total energy: -3040.471500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.471500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.471500 (E_RNA)
where:
Base-Base interactions energy: -2057.784
where: short stacking energy: -882.696
Base-Backbone interact. energy: -4.122
local terms energy: -978.565911
where:
bonds (distance) C4'-P energy: -177.633
bonds (distance) P-C4' energy: -188.763
flat angles C4'-P-C4' energy: -206.236
flat angles P-C4'-P energy: -133.886
tors. eta vs tors. theta energy: -272.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2991.265628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.265628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.265628 (E_RNA)
where:
Base-Base interactions energy: -2084.249
where: short stacking energy: -858.745
Base-Backbone interact. energy: -1.132
local terms energy: -905.884105
where:
bonds (distance) C4'-P energy: -173.255
bonds (distance) P-C4' energy: -160.645
flat angles C4'-P-C4' energy: -205.269
flat angles P-C4'-P energy: -118.340
tors. eta vs tors. theta energy: -248.376
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: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2753.169446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.169446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.169446 (E_RNA)
where:
Base-Base interactions energy: -1870.508
where: short stacking energy: -807.555
Base-Backbone interact. energy: -0.741
local terms energy: -881.919967
where:
bonds (distance) C4'-P energy: -159.361
bonds (distance) P-C4' energy: -172.307
flat angles C4'-P-C4' energy: -190.830
flat angles P-C4'-P energy: -113.846
tors. eta vs tors. theta energy: -245.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2594.757142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.757142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.757142 (E_RNA)
where:
Base-Base interactions energy: -1746.651
where: short stacking energy: -704.962
Base-Backbone interact. energy: -0.419
local terms energy: -847.687765
where:
bonds (distance) C4'-P energy: -164.372
bonds (distance) P-C4' energy: -151.042
flat angles C4'-P-C4' energy: -186.939
flat angles P-C4'-P energy: -127.855
tors. eta vs tors. theta energy: -217.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2531.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.283008 (E_RNA)
where:
Base-Base interactions energy: -1703.632
where: short stacking energy: -737.274
Base-Backbone interact. energy: -10.817
local terms energy: -816.833775
where:
bonds (distance) C4'-P energy: -154.295
bonds (distance) P-C4' energy: -172.878
flat angles C4'-P-C4' energy: -184.530
flat angles P-C4'-P energy: -96.815
tors. eta vs tors. theta energy: -208.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1937.320704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.320704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.320704 (E_RNA)
where:
Base-Base interactions energy: -1241.725
where: short stacking energy: -600.552
Base-Backbone interact. energy: -7.919
local terms energy: -687.676770
where:
bonds (distance) C4'-P energy: -144.307
bonds (distance) P-C4' energy: -170.018
flat angles C4'-P-C4' energy: -148.088
flat angles P-C4'-P energy: -106.228
tors. eta vs tors. theta energy: -119.035
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: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1765.798185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.798185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.798185 (E_RNA)
where:
Base-Base interactions energy: -1111.114
where: short stacking energy: -503.810
Base-Backbone interact. energy: 4.524
local terms energy: -659.208300
where:
bonds (distance) C4'-P energy: -155.671
bonds (distance) P-C4' energy: -141.077
flat angles C4'-P-C4' energy: -162.028
flat angles P-C4'-P energy: -99.006
tors. eta vs tors. theta energy: -101.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1309.493434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.493434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.493434 (E_RNA)
where:
Base-Base interactions energy: -739.083
where: short stacking energy: -382.637
Base-Backbone interact. energy: -0.214
local terms energy: -570.196894
where:
bonds (distance) C4'-P energy: -147.695
bonds (distance) P-C4' energy: -164.463
flat angles C4'-P-C4' energy: -133.111
flat angles P-C4'-P energy: -93.735
tors. eta vs tors. theta energy: -31.193
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: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1145.529611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.529611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.529611 (E_RNA)
where:
Base-Base interactions energy: -644.358
where: short stacking energy: -333.481
Base-Backbone interact. energy: 5.071
local terms energy: -506.242585
where:
bonds (distance) C4'-P energy: -142.299
bonds (distance) P-C4' energy: -146.340
flat angles C4'-P-C4' energy: -135.530
flat angles P-C4'-P energy: -49.627
tors. eta vs tors. theta energy: -32.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -826.260490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.260490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.260490 (E_RNA)
where:
Base-Base interactions energy: -376.567
where: short stacking energy: -230.308
Base-Backbone interact. energy: 7.415
local terms energy: -457.108787
where:
bonds (distance) C4'-P energy: -123.795
bonds (distance) P-C4' energy: -157.748
flat angles C4'-P-C4' energy: -129.773
flat angles P-C4'-P energy: -68.504
tors. eta vs tors. theta energy: 22.711
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: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -3089.345034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3089.345034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3089.345034 (E_RNA)
where:
Base-Base interactions energy: -2127.576
where: short stacking energy: -881.716
Base-Backbone interact. energy: -5.954
local terms energy: -955.815809
where:
bonds (distance) C4'-P energy: -180.329
bonds (distance) P-C4' energy: -182.975
flat angles C4'-P-C4' energy: -199.438
flat angles P-C4'-P energy: -132.967
tors. eta vs tors. theta energy: -260.107
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: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2953.813840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.813840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.813840 (E_RNA)
where:
Base-Base interactions energy: -2007.865
where: short stacking energy: -887.608
Base-Backbone interact. energy: -2.316
local terms energy: -943.632042
where:
bonds (distance) C4'-P energy: -168.058
bonds (distance) P-C4' energy: -182.856
flat angles C4'-P-C4' energy: -188.873
flat angles P-C4'-P energy: -135.319
tors. eta vs tors. theta energy: -268.527
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: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2767.693356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.693356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.693356 (E_RNA)
where:
Base-Base interactions energy: -1897.876
where: short stacking energy: -808.311
Base-Backbone interact. energy: -0.989
local terms energy: -868.827789
where:
bonds (distance) C4'-P energy: -173.202
bonds (distance) P-C4' energy: -136.946
flat angles C4'-P-C4' energy: -187.764
flat angles P-C4'-P energy: -134.767
tors. eta vs tors. theta energy: -236.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2568.481447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.481447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.481447 (E_RNA)
where:
Base-Base interactions energy: -1735.242
where: short stacking energy: -753.974
Base-Backbone interact. energy: 3.363
local terms energy: -836.602937
where:
bonds (distance) C4'-P energy: -167.701
bonds (distance) P-C4' energy: -182.411
flat angles C4'-P-C4' energy: -175.581
flat angles P-C4'-P energy: -99.356
tors. eta vs tors. theta energy: -211.554
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: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2501.478972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.478972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.478972 (E_RNA)
where:
Base-Base interactions energy: -1702.124
where: short stacking energy: -718.374
Base-Backbone interact. energy: 0.774
local terms energy: -800.129002
where:
bonds (distance) C4'-P energy: -142.392
bonds (distance) P-C4' energy: -154.184
flat angles C4'-P-C4' energy: -201.857
flat angles P-C4'-P energy: -117.817
tors. eta vs tors. theta energy: -183.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2013.611339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.611339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.611339 (E_RNA)
where:
Base-Base interactions energy: -1281.484
where: short stacking energy: -578.391
Base-Backbone interact. energy: -2.499
local terms energy: -729.628112
where:
bonds (distance) C4'-P energy: -158.563
bonds (distance) P-C4' energy: -167.752
flat angles C4'-P-C4' energy: -167.675
flat angles P-C4'-P energy: -105.712
tors. eta vs tors. theta energy: -129.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1747.884331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.884331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.884331 (E_RNA)
where:
Base-Base interactions energy: -1105.299
where: short stacking energy: -516.384
Base-Backbone interact. energy: 9.588
local terms energy: -652.173250
where:
bonds (distance) C4'-P energy: -138.668
bonds (distance) P-C4' energy: -155.445
flat angles C4'-P-C4' energy: -169.730
flat angles P-C4'-P energy: -74.864
tors. eta vs tors. theta energy: -113.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1305.903322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.903322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.903322 (E_RNA)
where:
Base-Base interactions energy: -754.142
where: short stacking energy: -353.858
Base-Backbone interact. energy: 1.222
local terms energy: -552.983455
where:
bonds (distance) C4'-P energy: -161.565
bonds (distance) P-C4' energy: -143.208
flat angles C4'-P-C4' energy: -152.819
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1144.219588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.219588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.219588 (E_RNA)
where:
Base-Base interactions energy: -591.342
where: short stacking energy: -319.465
Base-Backbone interact. energy: -3.319
local terms energy: -549.559425
where:
bonds (distance) C4'-P energy: -136.060
bonds (distance) P-C4' energy: -165.220
flat angles C4'-P-C4' energy: -152.906
flat angles P-C4'-P energy: -59.469
tors. eta vs tors. theta energy: -35.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -821.185610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.185610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.185610 (E_RNA)
where:
Base-Base interactions energy: -368.108
where: short stacking energy: -204.295
Base-Backbone interact. energy: -1.861
local terms energy: -451.216766
where:
bonds (distance) C4'-P energy: -138.092
bonds (distance) P-C4' energy: -160.693
flat angles C4'-P-C4' energy: -118.840
flat angles P-C4'-P energy: -66.076
tors. eta vs tors. theta energy: 32.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -3073.715865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3073.715865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3073.715865 (E_RNA)
where:
Base-Base interactions energy: -2115.692
where: short stacking energy: -891.637
Base-Backbone interact. energy: -5.164
local terms energy: -952.859631
where:
bonds (distance) C4'-P energy: -170.257
bonds (distance) P-C4' energy: -184.371
flat angles C4'-P-C4' energy: -202.462
flat angles P-C4'-P energy: -136.144
tors. eta vs tors. theta energy: -259.625
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: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2949.003420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.003420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.003420 (E_RNA)
where:
Base-Base interactions energy: -2010.848
where: short stacking energy: -867.056
Base-Backbone interact. energy: -2.941
local terms energy: -935.213530
where:
bonds (distance) C4'-P energy: -166.475
bonds (distance) P-C4' energy: -186.797
flat angles C4'-P-C4' energy: -196.777
flat angles P-C4'-P energy: -119.797
tors. eta vs tors. theta energy: -265.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2757.894209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.894209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.894209 (E_RNA)
where:
Base-Base interactions energy: -1878.135
where: short stacking energy: -794.128
Base-Backbone interact. energy: -5.296
local terms energy: -874.463702
where:
bonds (distance) C4'-P energy: -155.398
bonds (distance) P-C4' energy: -161.677
flat angles C4'-P-C4' energy: -189.352
flat angles P-C4'-P energy: -125.938
tors. eta vs tors. theta energy: -242.098
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: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2598.289662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.289662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.289662 (E_RNA)
where:
Base-Base interactions energy: -1755.877
where: short stacking energy: -736.112
Base-Backbone interact. energy: -5.945
local terms energy: -836.467495
where:
bonds (distance) C4'-P energy: -161.990
bonds (distance) P-C4' energy: -148.401
flat angles C4'-P-C4' energy: -199.076
flat angles P-C4'-P energy: -119.508
tors. eta vs tors. theta energy: -207.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2516.090280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.090280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.090280 (E_RNA)
where:
Base-Base interactions energy: -1716.363
where: short stacking energy: -748.847
Base-Backbone interact. energy: -0.506
local terms energy: -799.221569
where:
bonds (distance) C4'-P energy: -155.480
bonds (distance) P-C4' energy: -138.610
flat angles C4'-P-C4' energy: -188.375
flat angles P-C4'-P energy: -103.105
tors. eta vs tors. theta energy: -213.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2036.300334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.300334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.300334 (E_RNA)
where:
Base-Base interactions energy: -1310.965
where: short stacking energy: -612.942
Base-Backbone interact. energy: -2.921
local terms energy: -722.413569
where:
bonds (distance) C4'-P energy: -151.836
bonds (distance) P-C4' energy: -157.322
flat angles C4'-P-C4' energy: -148.912
flat angles P-C4'-P energy: -112.093
tors. eta vs tors. theta energy: -152.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1788.802025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.802025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.802025 (E_RNA)
where:
Base-Base interactions energy: -1145.773
where: short stacking energy: -520.382
Base-Backbone interact. energy: -0.052
local terms energy: -642.977150
where:
bonds (distance) C4'-P energy: -150.228
bonds (distance) P-C4' energy: -166.524
flat angles C4'-P-C4' energy: -133.369
flat angles P-C4'-P energy: -98.421
tors. eta vs tors. theta energy: -94.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1324.959377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.959377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.959377 (E_RNA)
where:
Base-Base interactions energy: -779.534
where: short stacking energy: -378.328
Base-Backbone interact. energy: -0.565
local terms energy: -544.859836
where:
bonds (distance) C4'-P energy: -141.358
bonds (distance) P-C4' energy: -143.254
flat angles C4'-P-C4' energy: -129.071
flat angles P-C4'-P energy: -87.020
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1087.417263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.417263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.417263 (E_RNA)
where:
Base-Base interactions energy: -563.102
where: short stacking energy: -324.644
Base-Backbone interact. energy: -5.898
local terms energy: -518.416836
where:
bonds (distance) C4'-P energy: -130.376
bonds (distance) P-C4' energy: -133.490
flat angles C4'-P-C4' energy: -138.799
flat angles P-C4'-P energy: -86.266
tors. eta vs tors. theta energy: -29.486
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: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -869.041466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.041466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.041466 (E_RNA)
where:
Base-Base interactions energy: -427.875
where: short stacking energy: -247.956
Base-Backbone interact. energy: 1.572
local terms energy: -442.738057
where:
bonds (distance) C4'-P energy: -130.369
bonds (distance) P-C4' energy: -159.562
flat angles C4'-P-C4' energy: -130.563
flat angles P-C4'-P energy: -46.350
tors. eta vs tors. theta energy: 24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -3042.127273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.127273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.127273 (E_RNA)
where:
Base-Base interactions energy: -2103.666
where: short stacking energy: -900.383
Base-Backbone interact. energy: 0.947
local terms energy: -939.408121
where:
bonds (distance) C4'-P energy: -174.453
bonds (distance) P-C4' energy: -171.275
flat angles C4'-P-C4' energy: -199.522
flat angles P-C4'-P energy: -120.039
tors. eta vs tors. theta energy: -274.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -3002.129446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.129446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.129446 (E_RNA)
where:
Base-Base interactions energy: -2087.321
where: short stacking energy: -858.326
Base-Backbone interact. energy: -3.756
local terms energy: -911.051814
where:
bonds (distance) C4'-P energy: -154.779
bonds (distance) P-C4' energy: -170.295
flat angles C4'-P-C4' energy: -196.939
flat angles P-C4'-P energy: -132.894
tors. eta vs tors. theta energy: -256.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2768.095577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.095577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.095577 (E_RNA)
where:
Base-Base interactions energy: -1866.489
where: short stacking energy: -792.269
Base-Backbone interact. energy: -5.583
local terms energy: -896.023298
where:
bonds (distance) C4'-P energy: -172.661
bonds (distance) P-C4' energy: -171.675
flat angles C4'-P-C4' energy: -183.938
flat angles P-C4'-P energy: -125.777
tors. eta vs tors. theta energy: -241.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2638.226215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.226215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.226215 (E_RNA)
where:
Base-Base interactions energy: -1802.324
where: short stacking energy: -754.321
Base-Backbone interact. energy: -2.019
local terms energy: -833.883213
where:
bonds (distance) C4'-P energy: -154.721
bonds (distance) P-C4' energy: -168.993
flat angles C4'-P-C4' energy: -178.017
flat angles P-C4'-P energy: -114.140
tors. eta vs tors. theta energy: -218.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2564.202681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.202681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.202681 (E_RNA)
where:
Base-Base interactions energy: -1720.593
where: short stacking energy: -744.193
Base-Backbone interact. energy: -5.250
local terms energy: -838.359336
where:
bonds (distance) C4'-P energy: -158.134
bonds (distance) P-C4' energy: -153.128
flat angles C4'-P-C4' energy: -191.030
flat angles P-C4'-P energy: -118.575
tors. eta vs tors. theta energy: -217.492
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: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1944.476983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.476983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.476983 (E_RNA)
where:
Base-Base interactions energy: -1234.211
where: short stacking energy: -531.275
Base-Backbone interact. energy: -3.859
local terms energy: -706.406315
where:
bonds (distance) C4'-P energy: -173.401
bonds (distance) P-C4' energy: -142.507
flat angles C4'-P-C4' energy: -166.545
flat angles P-C4'-P energy: -104.650
tors. eta vs tors. theta energy: -119.303
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: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1808.736675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.736675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.736675 (E_RNA)
where:
Base-Base interactions energy: -1120.756
where: short stacking energy: -508.982
Base-Backbone interact. energy: -1.720
local terms energy: -686.260929
where:
bonds (distance) C4'-P energy: -147.331
bonds (distance) P-C4' energy: -169.277
flat angles C4'-P-C4' energy: -163.908
flat angles P-C4'-P energy: -100.681
tors. eta vs tors. theta energy: -105.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1282.513550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.513550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.513550 (E_RNA)
where:
Base-Base interactions energy: -705.800
where: short stacking energy: -342.772
Base-Backbone interact. energy: -1.081
local terms energy: -575.632025
where:
bonds (distance) C4'-P energy: -135.305
bonds (distance) P-C4' energy: -170.504
flat angles C4'-P-C4' energy: -141.814
flat angles P-C4'-P energy: -89.105
tors. eta vs tors. theta energy: -38.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1074.047690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.047690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.047690 (E_RNA)
where:
Base-Base interactions energy: -568.674
where: short stacking energy: -313.214
Base-Backbone interact. energy: 3.519
local terms energy: -508.892551
where:
bonds (distance) C4'-P energy: -138.825
bonds (distance) P-C4' energy: -155.624
flat angles C4'-P-C4' energy: -148.966
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: 14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -897.803283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.803283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.803283 (E_RNA)
where:
Base-Base interactions energy: -404.224
where: short stacking energy: -220.271
Base-Backbone interact. energy: -3.542
local terms energy: -490.037182
where:
bonds (distance) C4'-P energy: -150.837
bonds (distance) P-C4' energy: -130.909
flat angles C4'-P-C4' energy: -125.690
flat angles P-C4'-P energy: -87.183
tors. eta vs tors. theta energy: 4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -3047.799556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3047.799556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3047.799556 (E_RNA)
where:
Base-Base interactions energy: -2090.094
where: short stacking energy: -913.918
Base-Backbone interact. energy: -5.198
local terms energy: -952.507396
where:
bonds (distance) C4'-P energy: -177.180
bonds (distance) P-C4' energy: -166.070
flat angles C4'-P-C4' energy: -195.234
flat angles P-C4'-P energy: -147.209
tors. eta vs tors. theta energy: -266.814
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2988.131682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.131682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.131682 (E_RNA)
where:
Base-Base interactions energy: -2061.809
where: short stacking energy: -868.337
Base-Backbone interact. energy: 0.605
local terms energy: -926.927997
where:
bonds (distance) C4'-P energy: -178.763
bonds (distance) P-C4' energy: -175.583
flat angles C4'-P-C4' energy: -204.458
flat angles P-C4'-P energy: -117.802
tors. eta vs tors. theta energy: -250.321
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2767.031467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.031467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.031467 (E_RNA)
where:
Base-Base interactions energy: -1864.041
where: short stacking energy: -816.503
Base-Backbone interact. energy: -4.932
local terms energy: -898.059182
where:
bonds (distance) C4'-P energy: -161.668
bonds (distance) P-C4' energy: -174.022
flat angles C4'-P-C4' energy: -191.947
flat angles P-C4'-P energy: -131.490
tors. eta vs tors. theta energy: -238.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2644.840741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.840741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.840741 (E_RNA)
where:
Base-Base interactions energy: -1799.167
where: short stacking energy: -733.205
Base-Backbone interact. energy: -0.916
local terms energy: -844.757656
where:
bonds (distance) C4'-P energy: -185.725
bonds (distance) P-C4' energy: -163.689
flat angles C4'-P-C4' energy: -173.111
flat angles P-C4'-P energy: -108.976
tors. eta vs tors. theta energy: -213.256
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: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2552.811636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.811636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.811636 (E_RNA)
where:
Base-Base interactions energy: -1720.584
where: short stacking energy: -713.510
Base-Backbone interact. energy: -2.748
local terms energy: -829.479798
where:
bonds (distance) C4'-P energy: -181.717
bonds (distance) P-C4' energy: -143.480
flat angles C4'-P-C4' energy: -179.768
flat angles P-C4'-P energy: -124.523
tors. eta vs tors. theta energy: -199.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1982.395834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.395834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.395834 (E_RNA)
where:
Base-Base interactions energy: -1289.626
where: short stacking energy: -567.363
Base-Backbone interact. energy: -4.094
local terms energy: -688.675385
where:
bonds (distance) C4'-P energy: -143.561
bonds (distance) P-C4' energy: -162.875
flat angles C4'-P-C4' energy: -169.325
flat angles P-C4'-P energy: -97.522
tors. eta vs tors. theta energy: -115.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1801.913578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.913578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.913578 (E_RNA)
where:
Base-Base interactions energy: -1125.040
where: short stacking energy: -484.843
Base-Backbone interact. energy: -1.368
local terms energy: -675.505763
where:
bonds (distance) C4'-P energy: -144.686
bonds (distance) P-C4' energy: -152.707
flat angles C4'-P-C4' energy: -180.366
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -105.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1304.923342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.923342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.923342 (E_RNA)
where:
Base-Base interactions energy: -793.955
where: short stacking energy: -374.457
Base-Backbone interact. energy: 4.523
local terms energy: -515.491252
where:
bonds (distance) C4'-P energy: -131.913
bonds (distance) P-C4' energy: -131.302
flat angles C4'-P-C4' energy: -118.400
flat angles P-C4'-P energy: -91.779
tors. eta vs tors. theta energy: -42.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1117.367961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.367961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.367961 (E_RNA)
where:
Base-Base interactions energy: -571.153
where: short stacking energy: -300.431
Base-Backbone interact. energy: -4.167
local terms energy: -542.048267
where:
bonds (distance) C4'-P energy: -132.630
bonds (distance) P-C4' energy: -159.620
flat angles C4'-P-C4' energy: -158.848
flat angles P-C4'-P energy: -73.567
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -862.547933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.547933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.547933 (E_RNA)
where:
Base-Base interactions energy: -409.165
where: short stacking energy: -233.517
Base-Backbone interact. energy: 0.201
local terms energy: -453.584403
where:
bonds (distance) C4'-P energy: -141.735
bonds (distance) P-C4' energy: -141.376
flat angles C4'-P-C4' energy: -138.666
flat angles P-C4'-P energy: -60.449
tors. eta vs tors. theta energy: 28.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -3073.274897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3073.274897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3073.274897 (E_RNA)
where:
Base-Base interactions energy: -2085.902
where: short stacking energy: -915.970
Base-Backbone interact. energy: 0.628
local terms energy: -988.000275
where:
bonds (distance) C4'-P energy: -167.784
bonds (distance) P-C4' energy: -187.686
flat angles C4'-P-C4' energy: -214.759
flat angles P-C4'-P energy: -140.671
tors. eta vs tors. theta energy: -277.100
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: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2970.414239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.414239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.414239 (E_RNA)
where:
Base-Base interactions energy: -2044.568
where: short stacking energy: -851.185
Base-Backbone interact. energy: -1.272
local terms energy: -924.574033
where:
bonds (distance) C4'-P energy: -156.917
bonds (distance) P-C4' energy: -177.278
flat angles C4'-P-C4' energy: -203.210
flat angles P-C4'-P energy: -135.314
tors. eta vs tors. theta energy: -251.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2785.587606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.587606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.587606 (E_RNA)
where:
Base-Base interactions energy: -1892.353
where: short stacking energy: -839.890
Base-Backbone interact. energy: -2.857
local terms energy: -890.377672
where:
bonds (distance) C4'-P energy: -157.790
bonds (distance) P-C4' energy: -163.869
flat angles C4'-P-C4' energy: -202.955
flat angles P-C4'-P energy: -126.087
tors. eta vs tors. theta energy: -239.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2674.387986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.387986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.387986 (E_RNA)
where:
Base-Base interactions energy: -1813.660
where: short stacking energy: -753.970
Base-Backbone interact. energy: -2.965
local terms energy: -857.763334
where:
bonds (distance) C4'-P energy: -165.532
bonds (distance) P-C4' energy: -171.176
flat angles C4'-P-C4' energy: -180.877
flat angles P-C4'-P energy: -122.503
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: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2536.626239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.626239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.626239 (E_RNA)
where:
Base-Base interactions energy: -1682.568
where: short stacking energy: -721.347
Base-Backbone interact. energy: -4.228
local terms energy: -849.829593
where:
bonds (distance) C4'-P energy: -153.752
bonds (distance) P-C4' energy: -176.022
flat angles C4'-P-C4' energy: -193.815
flat angles P-C4'-P energy: -117.120
tors. eta vs tors. theta energy: -209.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2003.309750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.309750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.309750 (E_RNA)
where:
Base-Base interactions energy: -1273.281
where: short stacking energy: -586.268
Base-Backbone interact. energy: 0.978
local terms energy: -731.006965
where:
bonds (distance) C4'-P energy: -159.123
bonds (distance) P-C4' energy: -171.313
flat angles C4'-P-C4' energy: -148.048
flat angles P-C4'-P energy: -101.677
tors. eta vs tors. theta energy: -150.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1848.877661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.877661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.877661 (E_RNA)
where:
Base-Base interactions energy: -1139.245
where: short stacking energy: -521.892
Base-Backbone interact. energy: -0.528
local terms energy: -709.104297
where:
bonds (distance) C4'-P energy: -167.476
bonds (distance) P-C4' energy: -160.152
flat angles C4'-P-C4' energy: -164.536
flat angles P-C4'-P energy: -102.173
tors. eta vs tors. theta energy: -114.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1319.254704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.254704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.254704 (E_RNA)
where:
Base-Base interactions energy: -777.355
where: short stacking energy: -378.619
Base-Backbone interact. energy: 5.684
local terms energy: -547.582793
where:
bonds (distance) C4'-P energy: -150.192
bonds (distance) P-C4' energy: -155.243
flat angles C4'-P-C4' energy: -145.392
flat angles P-C4'-P energy: -75.731
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1039.769900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.769900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.769900 (E_RNA)
where:
Base-Base interactions energy: -515.085
where: short stacking energy: -293.252
Base-Backbone interact. energy: -4.867
local terms energy: -519.818182
where:
bonds (distance) C4'-P energy: -153.851
bonds (distance) P-C4' energy: -142.529
flat angles C4'-P-C4' energy: -117.082
flat angles P-C4'-P energy: -103.121
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -886.697114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.697114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.697114 (E_RNA)
where:
Base-Base interactions energy: -434.151
where: short stacking energy: -197.872
Base-Backbone interact. energy: -1.237
local terms energy: -451.308348
where:
bonds (distance) C4'-P energy: -146.411
bonds (distance) P-C4' energy: -157.438
flat angles C4'-P-C4' energy: -95.301
flat angles P-C4'-P energy: -78.646
tors. eta vs tors. theta energy: 26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -3073.431523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3073.431523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3073.431523 (E_RNA)
where:
Base-Base interactions energy: -2084.370
where: short stacking energy: -895.797
Base-Backbone interact. energy: -0.192
local terms energy: -988.869321
where:
bonds (distance) C4'-P energy: -193.255
bonds (distance) P-C4' energy: -170.055
flat angles C4'-P-C4' energy: -207.582
flat angles P-C4'-P energy: -132.079
tors. eta vs tors. theta energy: -285.898
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: 297
Temperature: 0.950000
Total energy: -3016.234209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.234209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.234209 (E_RNA)
where:
Base-Base interactions energy: -2060.700
where: short stacking energy: -851.925
Base-Backbone interact. energy: -4.857
local terms energy: -950.676714
where:
bonds (distance) C4'-P energy: -172.917
bonds (distance) P-C4' energy: -175.423
flat angles C4'-P-C4' energy: -196.693
flat angles P-C4'-P energy: -135.585
tors. eta vs tors. theta energy: -270.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2754.830574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.830574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.830574 (E_RNA)
where:
Base-Base interactions energy: -1855.491
where: short stacking energy: -802.904
Base-Backbone interact. energy: 2.471
local terms energy: -901.810734
where:
bonds (distance) C4'-P energy: -175.329
bonds (distance) P-C4' energy: -177.953
flat angles C4'-P-C4' energy: -179.784
flat angles P-C4'-P energy: -125.994
tors. eta vs tors. theta energy: -242.750
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2651.318084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.318084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.318084 (E_RNA)
where:
Base-Base interactions energy: -1775.266
where: short stacking energy: -726.203
Base-Backbone interact. energy: -0.752
local terms energy: -875.299877
where:
bonds (distance) C4'-P energy: -164.392
bonds (distance) P-C4' energy: -164.993
flat angles C4'-P-C4' energy: -203.084
flat angles P-C4'-P energy: -128.203
tors. eta vs tors. theta energy: -214.629
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: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2572.489472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.489472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.489472 (E_RNA)
where:
Base-Base interactions energy: -1743.667
where: short stacking energy: -765.161
Base-Backbone interact. energy: -2.114
local terms energy: -826.708458
where:
bonds (distance) C4'-P energy: -137.705
bonds (distance) P-C4' energy: -157.698
flat angles C4'-P-C4' energy: -179.039
flat angles P-C4'-P energy: -121.729
tors. eta vs tors. theta energy: -230.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1994.499848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.499848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.499848 (E_RNA)
where:
Base-Base interactions energy: -1290.758
where: short stacking energy: -591.580
Base-Backbone interact. energy: 8.641
local terms energy: -712.382108
where:
bonds (distance) C4'-P energy: -133.045
bonds (distance) P-C4' energy: -160.778
flat angles C4'-P-C4' energy: -168.433
flat angles P-C4'-P energy: -108.708
tors. eta vs tors. theta energy: -141.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1838.228018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.228018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.228018 (E_RNA)
where:
Base-Base interactions energy: -1148.256
where: short stacking energy: -543.788
Base-Backbone interact. energy: -2.608
local terms energy: -687.363967
where:
bonds (distance) C4'-P energy: -140.378
bonds (distance) P-C4' energy: -161.424
flat angles C4'-P-C4' energy: -161.644
flat angles P-C4'-P energy: -111.041
tors. eta vs tors. theta energy: -112.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1341.146364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.146364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.146364 (E_RNA)
where:
Base-Base interactions energy: -835.555
where: short stacking energy: -380.170
Base-Backbone interact. energy: 5.739
local terms energy: -511.330281
where:
bonds (distance) C4'-P energy: -143.378
bonds (distance) P-C4' energy: -142.630
flat angles C4'-P-C4' energy: -130.791
flat angles P-C4'-P energy: -68.114
tors. eta vs tors. theta energy: -26.418
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: 297
Temperature: 1.300000
Total energy: -1105.657544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.657544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.657544 (E_RNA)
where:
Base-Base interactions energy: -602.520
where: short stacking energy: -299.234
Base-Backbone interact. energy: -1.620
local terms energy: -501.517852
where:
bonds (distance) C4'-P energy: -149.368
bonds (distance) P-C4' energy: -139.434
flat angles C4'-P-C4' energy: -131.936
flat angles P-C4'-P energy: -78.696
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -901.813246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.813246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.813246 (E_RNA)
where:
Base-Base interactions energy: -446.784
where: short stacking energy: -247.689
Base-Backbone interact. energy: 12.539
local terms energy: -467.568004
where:
bonds (distance) C4'-P energy: -158.459
bonds (distance) P-C4' energy: -150.466
flat angles C4'-P-C4' energy: -128.359
flat angles P-C4'-P energy: -61.834
tors. eta vs tors. theta energy: 31.550
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: 298
Temperature: 0.900000
Total energy: -3088.965139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3088.965139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3088.965139 (E_RNA)
where:
Base-Base interactions energy: -2118.918
where: short stacking energy: -896.641
Base-Backbone interact. energy: -4.653
local terms energy: -965.394786
where:
bonds (distance) C4'-P energy: -172.313
bonds (distance) P-C4' energy: -169.892
flat angles C4'-P-C4' energy: -204.893
flat angles P-C4'-P energy: -130.602
tors. eta vs tors. theta energy: -287.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -3026.080163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.080163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.080163 (E_RNA)
where:
Base-Base interactions energy: -2106.123
where: short stacking energy: -866.241
Base-Backbone interact. energy: -2.176
local terms energy: -917.781641
where:
bonds (distance) C4'-P energy: -163.659
bonds (distance) P-C4' energy: -177.301
flat angles C4'-P-C4' energy: -196.557
flat angles P-C4'-P energy: -125.981
tors. eta vs tors. theta energy: -254.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2809.108449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.108449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.108449 (E_RNA)
where:
Base-Base interactions energy: -1901.173
where: short stacking energy: -855.703
Base-Backbone interact. energy: -3.281
local terms energy: -904.654423
where:
bonds (distance) C4'-P energy: -159.208
bonds (distance) P-C4' energy: -167.809
flat angles C4'-P-C4' energy: -190.161
flat angles P-C4'-P energy: -130.698
tors. eta vs tors. theta energy: -256.778
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: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2651.468317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.468317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.468317 (E_RNA)
where:
Base-Base interactions energy: -1783.361
where: short stacking energy: -764.047
Base-Backbone interact. energy: 0.129
local terms energy: -868.235667
where:
bonds (distance) C4'-P energy: -175.172
bonds (distance) P-C4' energy: -151.470
flat angles C4'-P-C4' energy: -190.960
flat angles P-C4'-P energy: -124.662
tors. eta vs tors. theta energy: -225.971
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: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2555.454894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.454894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.454894 (E_RNA)
where:
Base-Base interactions energy: -1680.195
where: short stacking energy: -711.294
Base-Backbone interact. energy: -3.052
local terms energy: -872.207800
where:
bonds (distance) C4'-P energy: -170.462
bonds (distance) P-C4' energy: -172.463
flat angles C4'-P-C4' energy: -191.859
flat angles P-C4'-P energy: -121.512
tors. eta vs tors. theta energy: -215.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2014.264204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.264204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.264204 (E_RNA)
where:
Base-Base interactions energy: -1305.882
where: short stacking energy: -587.543
Base-Backbone interact. energy: -3.350
local terms energy: -705.031594
where:
bonds (distance) C4'-P energy: -128.200
bonds (distance) P-C4' energy: -164.856
flat angles C4'-P-C4' energy: -163.139
flat angles P-C4'-P energy: -101.042
tors. eta vs tors. theta energy: -147.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1829.457412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.457412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.457412 (E_RNA)
where:
Base-Base interactions energy: -1170.062
where: short stacking energy: -515.306
Base-Backbone interact. energy: -5.016
local terms energy: -654.380172
where:
bonds (distance) C4'-P energy: -143.184
bonds (distance) P-C4' energy: -169.637
flat angles C4'-P-C4' energy: -144.137
flat angles P-C4'-P energy: -95.412
tors. eta vs tors. theta energy: -102.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1376.356057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.356057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.356057 (E_RNA)
where:
Base-Base interactions energy: -833.937
where: short stacking energy: -390.426
Base-Backbone interact. energy: -0.418
local terms energy: -542.001234
where:
bonds (distance) C4'-P energy: -149.653
bonds (distance) P-C4' energy: -157.603
flat angles C4'-P-C4' energy: -125.980
flat angles P-C4'-P energy: -78.826
tors. eta vs tors. theta energy: -29.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -983.438205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.438205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.438205 (E_RNA)
where:
Base-Base interactions energy: -463.205
where: short stacking energy: -278.001
Base-Backbone interact. energy: -3.493
local terms energy: -516.740511
where:
bonds (distance) C4'-P energy: -128.935
bonds (distance) P-C4' energy: -154.839
flat angles C4'-P-C4' energy: -144.796
flat angles P-C4'-P energy: -92.372
tors. eta vs tors. theta energy: 4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1005.308992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.308992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.308992 (E_RNA)
where:
Base-Base interactions energy: -542.674
where: short stacking energy: -298.678
Base-Backbone interact. energy: -2.011
local terms energy: -460.623910
where:
bonds (distance) C4'-P energy: -140.984
bonds (distance) P-C4' energy: -139.369
flat angles C4'-P-C4' energy: -121.157
flat angles P-C4'-P energy: -63.680
tors. eta vs tors. theta energy: 4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -3134.165012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3134.165012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3134.165012 (E_RNA)
where:
Base-Base interactions energy: -2132.768
where: short stacking energy: -903.829
Base-Backbone interact. energy: -1.802
local terms energy: -999.595652
where:
bonds (distance) C4'-P energy: -176.056
bonds (distance) P-C4' energy: -183.637
flat angles C4'-P-C4' energy: -203.449
flat angles P-C4'-P energy: -147.546
tors. eta vs tors. theta energy: -288.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -3032.920079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.920079 (E_RNA)
where:
Base-Base interactions energy: -2099.153
where: short stacking energy: -885.257
Base-Backbone interact. energy: -1.582
local terms energy: -932.185349
where:
bonds (distance) C4'-P energy: -174.176
bonds (distance) P-C4' energy: -176.873
flat angles C4'-P-C4' energy: -191.809
flat angles P-C4'-P energy: -127.672
tors. eta vs tors. theta energy: -261.655
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: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2790.884490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.884490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.884490 (E_RNA)
where:
Base-Base interactions energy: -1850.486
where: short stacking energy: -794.363
Base-Backbone interact. energy: -2.551
local terms energy: -937.848015
where:
bonds (distance) C4'-P energy: -183.428
bonds (distance) P-C4' energy: -178.338
flat angles C4'-P-C4' energy: -202.796
flat angles P-C4'-P energy: -132.169
tors. eta vs tors. theta energy: -241.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2653.514478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.514478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.514478 (E_RNA)
where:
Base-Base interactions energy: -1850.483
where: short stacking energy: -769.919
Base-Backbone interact. energy: 2.267
local terms energy: -805.298500
where:
bonds (distance) C4'-P energy: -133.304
bonds (distance) P-C4' energy: -151.037
flat angles C4'-P-C4' energy: -190.930
flat angles P-C4'-P energy: -111.012
tors. eta vs tors. theta energy: -219.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2578.289564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.289564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.289564 (E_RNA)
where:
Base-Base interactions energy: -1749.433
where: short stacking energy: -737.754
Base-Backbone interact. energy: -2.612
local terms energy: -826.244380
where:
bonds (distance) C4'-P energy: -156.290
bonds (distance) P-C4' energy: -164.815
flat angles C4'-P-C4' energy: -166.430
flat angles P-C4'-P energy: -115.515
tors. eta vs tors. theta energy: -223.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2001.108893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.108893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.108893 (E_RNA)
where:
Base-Base interactions energy: -1245.069
where: short stacking energy: -584.070
Base-Backbone interact. energy: -1.382
local terms energy: -754.657545
where:
bonds (distance) C4'-P energy: -172.281
bonds (distance) P-C4' energy: -163.330
flat angles C4'-P-C4' energy: -180.660
flat angles P-C4'-P energy: -92.895
tors. eta vs tors. theta energy: -145.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1857.581229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.581229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.581229 (E_RNA)
where:
Base-Base interactions energy: -1160.234
where: short stacking energy: -523.864
Base-Backbone interact. energy: 6.171
local terms energy: -703.517557
where:
bonds (distance) C4'-P energy: -148.531
bonds (distance) P-C4' energy: -170.688
flat angles C4'-P-C4' energy: -166.943
flat angles P-C4'-P energy: -86.179
tors. eta vs tors. theta energy: -131.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1316.738719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.738719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.738719 (E_RNA)
where:
Base-Base interactions energy: -785.836
where: short stacking energy: -353.638
Base-Backbone interact. energy: 3.615
local terms energy: -534.517762
where:
bonds (distance) C4'-P energy: -148.954
bonds (distance) P-C4' energy: -155.629
flat angles C4'-P-C4' energy: -146.014
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: -27.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -927.073795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.073795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.073795 (E_RNA)
where:
Base-Base interactions energy: -428.970
where: short stacking energy: -222.986
Base-Backbone interact. energy: 4.002
local terms energy: -502.105875
where:
bonds (distance) C4'-P energy: -151.748
bonds (distance) P-C4' energy: -168.158
flat angles C4'-P-C4' energy: -132.840
flat angles P-C4'-P energy: -61.551
tors. eta vs tors. theta energy: 12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1037.624157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.624157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.624157 (E_RNA)
where:
Base-Base interactions energy: -547.973
where: short stacking energy: -281.923
Base-Backbone interact. energy: 2.312
local terms energy: -491.963444
where:
bonds (distance) C4'-P energy: -128.363
bonds (distance) P-C4' energy: -139.561
flat angles C4'-P-C4' energy: -127.048
flat angles P-C4'-P energy: -85.575
tors. eta vs tors. theta energy: -11.416
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -3112.445891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3112.445891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3112.445891 (E_RNA)
where:
Base-Base interactions energy: -2134.306
where: short stacking energy: -913.395
Base-Backbone interact. energy: 0.816
local terms energy: -978.956048
where:
bonds (distance) C4'-P energy: -183.209
bonds (distance) P-C4' energy: -172.984
flat angles C4'-P-C4' energy: -214.813
flat angles P-C4'-P energy: -134.153
tors. eta vs tors. theta energy: -273.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -3033.152822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.152822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.152822 (E_RNA)
where:
Base-Base interactions energy: -2089.396
where: short stacking energy: -871.947
Base-Backbone interact. energy: -0.940
local terms energy: -942.816866
where:
bonds (distance) C4'-P energy: -167.633
bonds (distance) P-C4' energy: -165.434
flat angles C4'-P-C4' energy: -194.563
flat angles P-C4'-P energy: -136.821
tors. eta vs tors. theta energy: -278.366
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: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2796.778040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.778040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.778040 (E_RNA)
where:
Base-Base interactions energy: -1867.076
where: short stacking energy: -817.743
Base-Backbone interact. energy: -2.162
local terms energy: -927.540105
where:
bonds (distance) C4'-P energy: -171.724
bonds (distance) P-C4' energy: -173.209
flat angles C4'-P-C4' energy: -197.239
flat angles P-C4'-P energy: -127.105
tors. eta vs tors. theta energy: -258.263
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: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2693.094942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.094942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.094942 (E_RNA)
where:
Base-Base interactions energy: -1834.620
where: short stacking energy: -784.851
Base-Backbone interact. energy: 4.249
local terms energy: -862.724221
where:
bonds (distance) C4'-P energy: -186.237
bonds (distance) P-C4' energy: -172.366
flat angles C4'-P-C4' energy: -188.923
flat angles P-C4'-P energy: -97.036
tors. eta vs tors. theta energy: -218.164
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: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2511.798072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.798072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.798072 (E_RNA)
where:
Base-Base interactions energy: -1706.621
where: short stacking energy: -751.564
Base-Backbone interact. energy: -5.705
local terms energy: -799.471332
where:
bonds (distance) C4'-P energy: -158.136
bonds (distance) P-C4' energy: -145.554
flat angles C4'-P-C4' energy: -170.768
flat angles P-C4'-P energy: -123.416
tors. eta vs tors. theta energy: -201.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2034.499442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.499442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.499442 (E_RNA)
where:
Base-Base interactions energy: -1308.537
where: short stacking energy: -605.568
Base-Backbone interact. energy: -1.463
local terms energy: -724.499097
where:
bonds (distance) C4'-P energy: -141.439
bonds (distance) P-C4' energy: -138.729
flat angles C4'-P-C4' energy: -178.539
flat angles P-C4'-P energy: -113.068
tors. eta vs tors. theta energy: -152.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1874.261173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.261173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.261173 (E_RNA)
where:
Base-Base interactions energy: -1195.945
where: short stacking energy: -519.526
Base-Backbone interact. energy: 3.642
local terms energy: -681.958588
where:
bonds (distance) C4'-P energy: -176.344
bonds (distance) P-C4' energy: -135.877
flat angles C4'-P-C4' energy: -157.285
flat angles P-C4'-P energy: -99.958
tors. eta vs tors. theta energy: -112.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1370.142007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.142007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.142007 (E_RNA)
where:
Base-Base interactions energy: -822.275
where: short stacking energy: -384.336
Base-Backbone interact. energy: -1.341
local terms energy: -546.526324
where:
bonds (distance) C4'-P energy: -145.943
bonds (distance) P-C4' energy: -162.996
flat angles C4'-P-C4' energy: -128.005
flat angles P-C4'-P energy: -78.534
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1121.054923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.054923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.054923 (E_RNA)
where:
Base-Base interactions energy: -568.691
where: short stacking energy: -295.866
Base-Backbone interact. energy: 3.442
local terms energy: -555.805551
where:
bonds (distance) C4'-P energy: -149.136
bonds (distance) P-C4' energy: -151.809
flat angles C4'-P-C4' energy: -137.069
flat angles P-C4'-P energy: -92.668
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -911.965268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.965268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.965268 (E_RNA)
where:
Base-Base interactions energy: -438.395
where: short stacking energy: -266.499
Base-Backbone interact. energy: 4.067
local terms energy: -477.637335
where:
bonds (distance) C4'-P energy: -152.649
bonds (distance) P-C4' energy: -179.121
flat angles C4'-P-C4' energy: -117.919
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: 14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -3084.372114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3084.372114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3084.372114 (E_RNA)
where:
Base-Base interactions energy: -2094.949
where: short stacking energy: -889.511
Base-Backbone interact. energy: -4.387
local terms energy: -985.036369
where:
bonds (distance) C4'-P energy: -184.341
bonds (distance) P-C4' energy: -187.757
flat angles C4'-P-C4' energy: -205.396
flat angles P-C4'-P energy: -136.272
tors. eta vs tors. theta energy: -271.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -3009.962890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.962890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.962890 (E_RNA)
where:
Base-Base interactions energy: -2056.389
where: short stacking energy: -893.211
Base-Backbone interact. energy: 0.046
local terms energy: -953.620240
where:
bonds (distance) C4'-P energy: -158.395
bonds (distance) P-C4' energy: -174.345
flat angles C4'-P-C4' energy: -209.253
flat angles P-C4'-P energy: -137.678
tors. eta vs tors. theta energy: -273.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2753.050536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.050536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.050536 (E_RNA)
where:
Base-Base interactions energy: -1821.457
where: short stacking energy: -824.459
Base-Backbone interact. energy: -1.498
local terms energy: -930.096065
where:
bonds (distance) C4'-P energy: -172.591
bonds (distance) P-C4' energy: -172.701
flat angles C4'-P-C4' energy: -200.792
flat angles P-C4'-P energy: -137.778
tors. eta vs tors. theta energy: -246.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2630.090826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.090826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.090826 (E_RNA)
where:
Base-Base interactions energy: -1795.269
where: short stacking energy: -742.331
Base-Backbone interact. energy: -2.443
local terms energy: -832.379374
where:
bonds (distance) C4'-P energy: -169.421
bonds (distance) P-C4' energy: -167.141
flat angles C4'-P-C4' energy: -173.431
flat angles P-C4'-P energy: -106.377
tors. eta vs tors. theta energy: -216.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2497.331491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.331491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.331491 (E_RNA)
where:
Base-Base interactions energy: -1709.899
where: short stacking energy: -764.880
Base-Backbone interact. energy: -7.724
local terms energy: -779.708372
where:
bonds (distance) C4'-P energy: -143.176
bonds (distance) P-C4' energy: -127.905
flat angles C4'-P-C4' energy: -179.215
flat angles P-C4'-P energy: -120.859
tors. eta vs tors. theta energy: -208.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2017.802674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.802674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.802674 (E_RNA)
where:
Base-Base interactions energy: -1285.402
where: short stacking energy: -555.363
Base-Backbone interact. energy: -3.307
local terms energy: -729.093331
where:
bonds (distance) C4'-P energy: -165.101
bonds (distance) P-C4' energy: -171.544
flat angles C4'-P-C4' energy: -174.539
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -123.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1883.034893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.034893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.034893 (E_RNA)
where:
Base-Base interactions energy: -1159.230
where: short stacking energy: -528.727
Base-Backbone interact. energy: -0.659
local terms energy: -723.146461
where:
bonds (distance) C4'-P energy: -170.498
bonds (distance) P-C4' energy: -153.690
flat angles C4'-P-C4' energy: -182.754
flat angles P-C4'-P energy: -100.038
tors. eta vs tors. theta energy: -116.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1441.075113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.075113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.075113 (E_RNA)
where:
Base-Base interactions energy: -841.457
where: short stacking energy: -422.553
Base-Backbone interact. energy: 6.100
local terms energy: -605.717876
where:
bonds (distance) C4'-P energy: -137.139
bonds (distance) P-C4' energy: -147.035
flat angles C4'-P-C4' energy: -142.215
flat angles P-C4'-P energy: -102.510
tors. eta vs tors. theta energy: -76.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1056.296086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.296086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.296086 (E_RNA)
where:
Base-Base interactions energy: -540.241
where: short stacking energy: -271.493
Base-Backbone interact. energy: 2.202
local terms energy: -518.257651
where:
bonds (distance) C4'-P energy: -145.641
bonds (distance) P-C4' energy: -151.092
flat angles C4'-P-C4' energy: -141.534
flat angles P-C4'-P energy: -75.655
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -823.045416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.045416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.045416 (E_RNA)
where:
Base-Base interactions energy: -368.157
where: short stacking energy: -220.930
Base-Backbone interact. energy: 7.912
local terms energy: -462.800780
where:
bonds (distance) C4'-P energy: -160.363
bonds (distance) P-C4' energy: -144.037
flat angles C4'-P-C4' energy: -117.876
flat angles P-C4'-P energy: -79.063
tors. eta vs tors. theta energy: 38.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2993.064409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.064409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.064409 (E_RNA)
where:
Base-Base interactions energy: -2021.237
where: short stacking energy: -860.174
Base-Backbone interact. energy: -5.051
local terms energy: -966.776600
where:
bonds (distance) C4'-P energy: -172.755
bonds (distance) P-C4' energy: -185.043
flat angles C4'-P-C4' energy: -211.964
flat angles P-C4'-P energy: -132.240
tors. eta vs tors. theta energy: -264.774
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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2989.828319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.828319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.828319 (E_RNA)
where:
Base-Base interactions energy: -2043.389
where: short stacking energy: -857.155
Base-Backbone interact. energy: -4.765
local terms energy: -941.674510
where:
bonds (distance) C4'-P energy: -171.012
bonds (distance) P-C4' energy: -188.037
flat angles C4'-P-C4' energy: -198.988
flat angles P-C4'-P energy: -125.669
tors. eta vs tors. theta energy: -257.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2803.166204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.166204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.166204 (E_RNA)
where:
Base-Base interactions energy: -1854.218
where: short stacking energy: -841.206
Base-Backbone interact. energy: -4.926
local terms energy: -944.022629
where:
bonds (distance) C4'-P energy: -196.132
bonds (distance) P-C4' energy: -183.707
flat angles C4'-P-C4' energy: -195.404
flat angles P-C4'-P energy: -113.452
tors. eta vs tors. theta energy: -255.329
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: 302
Temperature: 1.050000
Total energy: -2691.286849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.286849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.286849 (E_RNA)
where:
Base-Base interactions energy: -1821.363
where: short stacking energy: -772.674
Base-Backbone interact. energy: -0.341
local terms energy: -869.583126
where:
bonds (distance) C4'-P energy: -172.110
bonds (distance) P-C4' energy: -178.477
flat angles C4'-P-C4' energy: -184.568
flat angles P-C4'-P energy: -106.211
tors. eta vs tors. theta energy: -228.218
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: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2467.253739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.253739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.253739 (E_RNA)
where:
Base-Base interactions energy: -1655.453
where: short stacking energy: -704.685
Base-Backbone interact. energy: -4.695
local terms energy: -807.106373
where:
bonds (distance) C4'-P energy: -147.264
bonds (distance) P-C4' energy: -162.444
flat angles C4'-P-C4' energy: -181.694
flat angles P-C4'-P energy: -108.194
tors. eta vs tors. theta energy: -207.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2071.636196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.636196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.636196 (E_RNA)
where:
Base-Base interactions energy: -1305.592
where: short stacking energy: -594.312
Base-Backbone interact. energy: -2.933
local terms energy: -763.110813
where:
bonds (distance) C4'-P energy: -166.382
bonds (distance) P-C4' energy: -181.432
flat angles C4'-P-C4' energy: -175.233
flat angles P-C4'-P energy: -109.666
tors. eta vs tors. theta energy: -130.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1854.063011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.063011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.063011 (E_RNA)
where:
Base-Base interactions energy: -1178.788
where: short stacking energy: -504.119
Base-Backbone interact. energy: -2.390
local terms energy: -672.885092
where:
bonds (distance) C4'-P energy: -170.792
bonds (distance) P-C4' energy: -149.813
flat angles C4'-P-C4' energy: -155.431
flat angles P-C4'-P energy: -95.856
tors. eta vs tors. theta energy: -100.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1403.566454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.566454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.566454 (E_RNA)
where:
Base-Base interactions energy: -841.209
where: short stacking energy: -415.931
Base-Backbone interact. energy: -0.516
local terms energy: -561.842202
where:
bonds (distance) C4'-P energy: -155.837
bonds (distance) P-C4' energy: -124.301
flat angles C4'-P-C4' energy: -150.195
flat angles P-C4'-P energy: -71.665
tors. eta vs tors. theta energy: -59.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1085.752707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.752707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.752707 (E_RNA)
where:
Base-Base interactions energy: -576.174
where: short stacking energy: -252.794
Base-Backbone interact. energy: 7.414
local terms energy: -516.993087
where:
bonds (distance) C4'-P energy: -147.886
bonds (distance) P-C4' energy: -132.192
flat angles C4'-P-C4' energy: -149.624
flat angles P-C4'-P energy: -92.986
tors. eta vs tors. theta energy: 5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -901.250725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.250725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.250725 (E_RNA)
where:
Base-Base interactions energy: -436.175
where: short stacking energy: -246.216
Base-Backbone interact. energy: -2.977
local terms energy: -462.098954
where:
bonds (distance) C4'-P energy: -125.181
bonds (distance) P-C4' energy: -159.574
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -58.347
tors. eta vs tors. theta energy: 5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -3029.897925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.897925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.897925 (E_RNA)
where:
Base-Base interactions energy: -2049.210
where: short stacking energy: -874.692
Base-Backbone interact. energy: -5.668
local terms energy: -975.020167
where:
bonds (distance) C4'-P energy: -180.454
bonds (distance) P-C4' energy: -178.435
flat angles C4'-P-C4' energy: -213.243
flat angles P-C4'-P energy: -134.196
tors. eta vs tors. theta energy: -268.693
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: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -3006.720588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.720588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.720588 (E_RNA)
where:
Base-Base interactions energy: -2056.355
where: short stacking energy: -841.504
Base-Backbone interact. energy: -3.592
local terms energy: -946.773463
where:
bonds (distance) C4'-P energy: -175.758
bonds (distance) P-C4' energy: -190.663
flat angles C4'-P-C4' energy: -192.658
flat angles P-C4'-P energy: -127.165
tors. eta vs tors. theta energy: -260.529
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: 303
Temperature: 1.000000
Total energy: -2759.686552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.686552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.686552 (E_RNA)
where:
Base-Base interactions energy: -1868.253
where: short stacking energy: -810.047
Base-Backbone interact. energy: -5.659
local terms energy: -885.773733
where:
bonds (distance) C4'-P energy: -165.073
bonds (distance) P-C4' energy: -175.669
flat angles C4'-P-C4' energy: -182.286
flat angles P-C4'-P energy: -115.281
tors. eta vs tors. theta energy: -247.464
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: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2672.377611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.377611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.377611 (E_RNA)
where:
Base-Base interactions energy: -1835.812
where: short stacking energy: -764.847
Base-Backbone interact. energy: -3.468
local terms energy: -833.097677
where:
bonds (distance) C4'-P energy: -160.079
bonds (distance) P-C4' energy: -164.040
flat angles C4'-P-C4' energy: -192.510
flat angles P-C4'-P energy: -121.962
tors. eta vs tors. theta energy: -194.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2424.997788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.997788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.997788 (E_RNA)
where:
Base-Base interactions energy: -1646.187
where: short stacking energy: -716.620
Base-Backbone interact. energy: -4.588
local terms energy: -774.223268
where:
bonds (distance) C4'-P energy: -129.325
bonds (distance) P-C4' energy: -159.841
flat angles C4'-P-C4' energy: -177.253
flat angles P-C4'-P energy: -108.385
tors. eta vs tors. theta energy: -199.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2101.832092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.832092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.832092 (E_RNA)
where:
Base-Base interactions energy: -1391.375
where: short stacking energy: -611.418
Base-Backbone interact. energy: -1.722
local terms energy: -708.735336
where:
bonds (distance) C4'-P energy: -156.119
bonds (distance) P-C4' energy: -142.273
flat angles C4'-P-C4' energy: -168.701
flat angles P-C4'-P energy: -106.196
tors. eta vs tors. theta energy: -135.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1850.722281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.722281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.722281 (E_RNA)
where:
Base-Base interactions energy: -1188.868
where: short stacking energy: -532.869
Base-Backbone interact. energy: -2.695
local terms energy: -659.159550
where:
bonds (distance) C4'-P energy: -147.296
bonds (distance) P-C4' energy: -143.832
flat angles C4'-P-C4' energy: -146.908
flat angles P-C4'-P energy: -103.471
tors. eta vs tors. theta energy: -117.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1332.602098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.602098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.602098 (E_RNA)
where:
Base-Base interactions energy: -753.639
where: short stacking energy: -378.673
Base-Backbone interact. energy: 3.251
local terms energy: -582.214093
where:
bonds (distance) C4'-P energy: -130.363
bonds (distance) P-C4' energy: -147.422
flat angles C4'-P-C4' energy: -159.102
flat angles P-C4'-P energy: -79.950
tors. eta vs tors. theta energy: -65.377
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: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1055.376255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.376255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.376255 (E_RNA)
where:
Base-Base interactions energy: -538.412
where: short stacking energy: -309.151
Base-Backbone interact. energy: -0.426
local terms energy: -516.539054
where:
bonds (distance) C4'-P energy: -149.106
bonds (distance) P-C4' energy: -141.531
flat angles C4'-P-C4' energy: -141.826
flat angles P-C4'-P energy: -78.895
tors. eta vs tors. theta energy: -5.180
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: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -881.247778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.247778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.247778 (E_RNA)
where:
Base-Base interactions energy: -398.440
where: short stacking energy: -246.583
Base-Backbone interact. energy: -3.985
local terms energy: -478.822679
where:
bonds (distance) C4'-P energy: -131.885
bonds (distance) P-C4' energy: -154.960
flat angles C4'-P-C4' energy: -113.169
flat angles P-C4'-P energy: -85.203
tors. eta vs tors. theta energy: 6.394
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: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -3043.151881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3043.151881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3043.151881 (E_RNA)
where:
Base-Base interactions energy: -2034.559
where: short stacking energy: -846.713
Base-Backbone interact. energy: -3.618
local terms energy: -1004.975212
where:
bonds (distance) C4'-P energy: -185.138
bonds (distance) P-C4' energy: -199.029
flat angles C4'-P-C4' energy: -196.114
flat angles P-C4'-P energy: -155.866
tors. eta vs tors. theta energy: -268.828
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: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -3022.706462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.706462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.706462 (E_RNA)
where:
Base-Base interactions energy: -2075.925
where: short stacking energy: -836.318
Base-Backbone interact. energy: -0.868
local terms energy: -945.912653
where:
bonds (distance) C4'-P energy: -171.800
bonds (distance) P-C4' energy: -186.754
flat angles C4'-P-C4' energy: -184.468
flat angles P-C4'-P energy: -142.689
tors. eta vs tors. theta energy: -260.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2787.981157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.981157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.981157 (E_RNA)
where:
Base-Base interactions energy: -1862.431
where: short stacking energy: -801.434
Base-Backbone interact. energy: 2.245
local terms energy: -927.795490
where:
bonds (distance) C4'-P energy: -171.679
bonds (distance) P-C4' energy: -177.364
flat angles C4'-P-C4' energy: -200.114
flat angles P-C4'-P energy: -132.282
tors. eta vs tors. theta energy: -246.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2612.438005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.438005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.438005 (E_RNA)
where:
Base-Base interactions energy: -1774.253
where: short stacking energy: -752.513
Base-Backbone interact. energy: 0.141
local terms energy: -838.325443
where:
bonds (distance) C4'-P energy: -167.181
bonds (distance) P-C4' energy: -178.784
flat angles C4'-P-C4' energy: -182.747
flat angles P-C4'-P energy: -102.207
tors. eta vs tors. theta energy: -207.407
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: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2489.579683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.579683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.579683 (E_RNA)
where:
Base-Base interactions energy: -1662.367
where: short stacking energy: -725.062
Base-Backbone interact. energy: -0.781
local terms energy: -826.431945
where:
bonds (distance) C4'-P energy: -155.150
bonds (distance) P-C4' energy: -171.436
flat angles C4'-P-C4' energy: -177.378
flat angles P-C4'-P energy: -108.634
tors. eta vs tors. theta energy: -213.834
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: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2185.057834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.057834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.057834 (E_RNA)
where:
Base-Base interactions energy: -1458.396
where: short stacking energy: -609.102
Base-Backbone interact. energy: -6.205
local terms energy: -720.456762
where:
bonds (distance) C4'-P energy: -143.664
bonds (distance) P-C4' energy: -162.165
flat angles C4'-P-C4' energy: -149.136
flat angles P-C4'-P energy: -116.414
tors. eta vs tors. theta energy: -149.077
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: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1891.127231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.127231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.127231 (E_RNA)
where:
Base-Base interactions energy: -1236.414
where: short stacking energy: -560.052
Base-Backbone interact. energy: 3.378
local terms energy: -658.091221
where:
bonds (distance) C4'-P energy: -141.389
bonds (distance) P-C4' energy: -165.206
flat angles C4'-P-C4' energy: -151.096
flat angles P-C4'-P energy: -81.944
tors. eta vs tors. theta energy: -118.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1356.251135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.251135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.251135 (E_RNA)
where:
Base-Base interactions energy: -782.445
where: short stacking energy: -410.474
Base-Backbone interact. energy: -1.308
local terms energy: -572.498187
where:
bonds (distance) C4'-P energy: -167.782
bonds (distance) P-C4' energy: -150.207
flat angles C4'-P-C4' energy: -126.230
flat angles P-C4'-P energy: -73.613
tors. eta vs tors. theta energy: -54.666
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: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1034.978441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.978441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.978441 (E_RNA)
where:
Base-Base interactions energy: -501.742
where: short stacking energy: -264.127
Base-Backbone interact. energy: 4.191
local terms energy: -537.426964
where:
bonds (distance) C4'-P energy: -144.265
bonds (distance) P-C4' energy: -160.396
flat angles C4'-P-C4' energy: -150.049
flat angles P-C4'-P energy: -75.209
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -860.071083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.071083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.071083 (E_RNA)
where:
Base-Base interactions energy: -390.083
where: short stacking energy: -233.749
Base-Backbone interact. energy: -1.485
local terms energy: -468.502916
where:
bonds (distance) C4'-P energy: -146.046
bonds (distance) P-C4' energy: -148.502
flat angles C4'-P-C4' energy: -108.551
flat angles P-C4'-P energy: -68.604
tors. eta vs tors. theta energy: 3.201
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: 305
Temperature: 0.900000
Total energy: -3054.339579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3054.339579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3054.339579 (E_RNA)
where:
Base-Base interactions energy: -2087.684
where: short stacking energy: -900.025
Base-Backbone interact. energy: -4.044
local terms energy: -962.611342
where:
bonds (distance) C4'-P energy: -163.570
bonds (distance) P-C4' energy: -179.309
flat angles C4'-P-C4' energy: -208.825
flat angles P-C4'-P energy: -126.861
tors. eta vs tors. theta energy: -284.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -3016.747529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.747529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.747529 (E_RNA)
where:
Base-Base interactions energy: -2084.336
where: short stacking energy: -865.213
Base-Backbone interact. energy: -3.937
local terms energy: -928.474575
where:
bonds (distance) C4'-P energy: -175.256
bonds (distance) P-C4' energy: -178.015
flat angles C4'-P-C4' energy: -191.726
flat angles P-C4'-P energy: -124.157
tors. eta vs tors. theta energy: -259.321
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: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2797.949339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.949339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.949339 (E_RNA)
where:
Base-Base interactions energy: -1919.708
where: short stacking energy: -830.212
Base-Backbone interact. energy: -2.436
local terms energy: -875.804862
where:
bonds (distance) C4'-P energy: -151.993
bonds (distance) P-C4' energy: -169.187
flat angles C4'-P-C4' energy: -191.722
flat angles P-C4'-P energy: -123.089
tors. eta vs tors. theta energy: -239.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2679.995915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.995915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.995915 (E_RNA)
where:
Base-Base interactions energy: -1833.781
where: short stacking energy: -766.594
Base-Backbone interact. energy: 0.055
local terms energy: -846.270733
where:
bonds (distance) C4'-P energy: -181.807
bonds (distance) P-C4' energy: -156.504
flat angles C4'-P-C4' energy: -195.900
flat angles P-C4'-P energy: -104.858
tors. eta vs tors. theta energy: -207.202
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: 305
Temperature: 1.100000
Total energy: -2498.796475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.796475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.796475 (E_RNA)
where:
Base-Base interactions energy: -1670.074
where: short stacking energy: -739.039
Base-Backbone interact. energy: -3.077
local terms energy: -825.645548
where:
bonds (distance) C4'-P energy: -155.514
bonds (distance) P-C4' energy: -173.852
flat angles C4'-P-C4' energy: -176.865
flat angles P-C4'-P energy: -124.573
tors. eta vs tors. theta energy: -194.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2180.053596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.053596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.053596 (E_RNA)
where:
Base-Base interactions energy: -1436.788
where: short stacking energy: -616.711
Base-Backbone interact. energy: 4.672
local terms energy: -747.937934
where:
bonds (distance) C4'-P energy: -137.788
bonds (distance) P-C4' energy: -170.600
flat angles C4'-P-C4' energy: -171.473
flat angles P-C4'-P energy: -104.803
tors. eta vs tors. theta energy: -163.275
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: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1872.439728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.439728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.439728 (E_RNA)
where:
Base-Base interactions energy: -1196.013
where: short stacking energy: -507.125
Base-Backbone interact. energy: 6.586
local terms energy: -683.012221
where:
bonds (distance) C4'-P energy: -150.955
bonds (distance) P-C4' energy: -162.357
flat angles C4'-P-C4' energy: -153.149
flat angles P-C4'-P energy: -94.799
tors. eta vs tors. theta energy: -121.751
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1295.763966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.763966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.763966 (E_RNA)
where:
Base-Base interactions energy: -732.417
where: short stacking energy: -392.010
Base-Backbone interact. energy: 3.172
local terms energy: -566.519385
where:
bonds (distance) C4'-P energy: -133.600
bonds (distance) P-C4' energy: -167.642
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -76.774
tors. eta vs tors. theta energy: -52.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1077.371408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.371408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.371408 (E_RNA)
where:
Base-Base interactions energy: -578.276
where: short stacking energy: -311.236
Base-Backbone interact. energy: -1.669
local terms energy: -497.427015
where:
bonds (distance) C4'-P energy: -127.680
bonds (distance) P-C4' energy: -145.665
flat angles C4'-P-C4' energy: -142.080
flat angles P-C4'-P energy: -85.794
tors. eta vs tors. theta energy: 3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -800.761158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.761158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.761158 (E_RNA)
where:
Base-Base interactions energy: -340.167
where: short stacking energy: -221.606
Base-Backbone interact. energy: 8.374
local terms energy: -468.967841
where:
bonds (distance) C4'-P energy: -151.484
bonds (distance) P-C4' energy: -138.168
flat angles C4'-P-C4' energy: -142.138
flat angles P-C4'-P energy: -66.635
tors. eta vs tors. theta energy: 29.457
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: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -3096.375779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3096.375779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3096.375779 (E_RNA)
where:
Base-Base interactions energy: -2129.700
where: short stacking energy: -898.995
Base-Backbone interact. energy: -2.083
local terms energy: -964.593570
where:
bonds (distance) C4'-P energy: -189.590
bonds (distance) P-C4' energy: -172.063
flat angles C4'-P-C4' energy: -198.806
flat angles P-C4'-P energy: -135.511
tors. eta vs tors. theta energy: -268.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -3010.531485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.531485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.531485 (E_RNA)
where:
Base-Base interactions energy: -2052.236
where: short stacking energy: -864.192
Base-Backbone interact. energy: -3.946
local terms energy: -954.349639
where:
bonds (distance) C4'-P energy: -174.588
bonds (distance) P-C4' energy: -175.866
flat angles C4'-P-C4' energy: -203.970
flat angles P-C4'-P energy: -130.041
tors. eta vs tors. theta energy: -269.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2792.144411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.144411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.144411 (E_RNA)
where:
Base-Base interactions energy: -1894.312
where: short stacking energy: -821.291
Base-Backbone interact. energy: -1.249
local terms energy: -896.583271
where:
bonds (distance) C4'-P energy: -177.293
bonds (distance) P-C4' energy: -161.818
flat angles C4'-P-C4' energy: -187.772
flat angles P-C4'-P energy: -128.835
tors. eta vs tors. theta energy: -240.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2653.828711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.828711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.828711 (E_RNA)
where:
Base-Base interactions energy: -1846.075
where: short stacking energy: -757.779
Base-Backbone interact. energy: -1.563
local terms energy: -806.190361
where:
bonds (distance) C4'-P energy: -150.782
bonds (distance) P-C4' energy: -164.910
flat angles C4'-P-C4' energy: -173.371
flat angles P-C4'-P energy: -102.212
tors. eta vs tors. theta energy: -214.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2476.104314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.104314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.104314 (E_RNA)
where:
Base-Base interactions energy: -1656.672
where: short stacking energy: -722.505
Base-Backbone interact. energy: -3.148
local terms energy: -816.284031
where:
bonds (distance) C4'-P energy: -161.499
bonds (distance) P-C4' energy: -150.802
flat angles C4'-P-C4' energy: -174.207
flat angles P-C4'-P energy: -126.879
tors. eta vs tors. theta energy: -202.897
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: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2219.397426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.397426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.397426 (E_RNA)
where:
Base-Base interactions energy: -1456.193
where: short stacking energy: -584.962
Base-Backbone interact. energy: -8.008
local terms energy: -755.196147
where:
bonds (distance) C4'-P energy: -136.787
bonds (distance) P-C4' energy: -161.152
flat angles C4'-P-C4' energy: -183.322
flat angles P-C4'-P energy: -111.514
tors. eta vs tors. theta energy: -162.421
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: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1942.526149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.526149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.526149 (E_RNA)
where:
Base-Base interactions energy: -1235.723
where: short stacking energy: -599.060
Base-Backbone interact. energy: -2.283
local terms energy: -704.520045
where:
bonds (distance) C4'-P energy: -167.631
bonds (distance) P-C4' energy: -134.316
flat angles C4'-P-C4' energy: -173.080
flat angles P-C4'-P energy: -87.834
tors. eta vs tors. theta energy: -141.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1364.777562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.777562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.777562 (E_RNA)
where:
Base-Base interactions energy: -796.700
where: short stacking energy: -426.051
Base-Backbone interact. energy: -1.720
local terms energy: -566.357862
where:
bonds (distance) C4'-P energy: -134.399
bonds (distance) P-C4' energy: -157.656
flat angles C4'-P-C4' energy: -134.934
flat angles P-C4'-P energy: -77.979
tors. eta vs tors. theta energy: -61.390
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: 306
Temperature: 1.300000
Total energy: -1149.566719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.566719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.566719 (E_RNA)
where:
Base-Base interactions energy: -653.359
where: short stacking energy: -320.943
Base-Backbone interact. energy: -0.264
local terms energy: -495.943525
where:
bonds (distance) C4'-P energy: -151.942
bonds (distance) P-C4' energy: -149.659
flat angles C4'-P-C4' energy: -109.913
flat angles P-C4'-P energy: -76.873
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -815.426940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.426940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.426940 (E_RNA)
where:
Base-Base interactions energy: -375.977
where: short stacking energy: -228.918
Base-Backbone interact. energy: 0.169
local terms energy: -439.618688
where:
bonds (distance) C4'-P energy: -137.603
bonds (distance) P-C4' energy: -115.210
flat angles C4'-P-C4' energy: -141.621
flat angles P-C4'-P energy: -58.623
tors. eta vs tors. theta energy: 13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -3074.372340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.372340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.372340 (E_RNA)
where:
Base-Base interactions energy: -2103.232
where: short stacking energy: -871.335
Base-Backbone interact. energy: -4.927
local terms energy: -966.213509
where:
bonds (distance) C4'-P energy: -183.446
bonds (distance) P-C4' energy: -189.076
flat angles C4'-P-C4' energy: -207.593
flat angles P-C4'-P energy: -133.723
tors. eta vs tors. theta energy: -252.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2959.929594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.929594 (E_RNA)
where:
Base-Base interactions energy: -2021.819
where: short stacking energy: -887.006
Base-Backbone interact. energy: -3.715
local terms energy: -934.395293
where:
bonds (distance) C4'-P energy: -145.824
bonds (distance) P-C4' energy: -169.817
flat angles C4'-P-C4' energy: -214.174
flat angles P-C4'-P energy: -119.143
tors. eta vs tors. theta energy: -285.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2744.979513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.979513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.979513 (E_RNA)
where:
Base-Base interactions energy: -1852.356
where: short stacking energy: -805.113
Base-Backbone interact. energy: -2.948
local terms energy: -889.675687
where:
bonds (distance) C4'-P energy: -155.870
bonds (distance) P-C4' energy: -173.087
flat angles C4'-P-C4' energy: -186.171
flat angles P-C4'-P energy: -127.903
tors. eta vs tors. theta energy: -246.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2588.887218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.887218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.887218 (E_RNA)
where:
Base-Base interactions energy: -1742.498
where: short stacking energy: -707.893
Base-Backbone interact. energy: -3.893
local terms energy: -842.497000
where:
bonds (distance) C4'-P energy: -161.459
bonds (distance) P-C4' energy: -201.531
flat angles C4'-P-C4' energy: -165.227
flat angles P-C4'-P energy: -119.750
tors. eta vs tors. theta energy: -194.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2474.942458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.942458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.942458 (E_RNA)
where:
Base-Base interactions energy: -1656.447
where: short stacking energy: -723.721
Base-Backbone interact. energy: -0.603
local terms energy: -817.892244
where:
bonds (distance) C4'-P energy: -154.648
bonds (distance) P-C4' energy: -159.297
flat angles C4'-P-C4' energy: -188.605
flat angles P-C4'-P energy: -99.136
tors. eta vs tors. theta energy: -216.207
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: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2215.270206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.270206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.270206 (E_RNA)
where:
Base-Base interactions energy: -1457.310
where: short stacking energy: -613.353
Base-Backbone interact. energy: -4.598
local terms energy: -753.361962
where:
bonds (distance) C4'-P energy: -144.854
bonds (distance) P-C4' energy: -181.628
flat angles C4'-P-C4' energy: -147.922
flat angles P-C4'-P energy: -112.828
tors. eta vs tors. theta energy: -166.130
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: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1943.278477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.278477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.278477 (E_RNA)
where:
Base-Base interactions energy: -1260.459
where: short stacking energy: -571.414
Base-Backbone interact. energy: -0.532
local terms energy: -682.287929
where:
bonds (distance) C4'-P energy: -148.671
bonds (distance) P-C4' energy: -149.062
flat angles C4'-P-C4' energy: -158.632
flat angles P-C4'-P energy: -92.798
tors. eta vs tors. theta energy: -133.125
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: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1319.875518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.875518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.875518 (E_RNA)
where:
Base-Base interactions energy: -754.128
where: short stacking energy: -349.352
Base-Backbone interact. energy: -2.800
local terms energy: -562.946991
where:
bonds (distance) C4'-P energy: -144.617
bonds (distance) P-C4' energy: -155.722
flat angles C4'-P-C4' energy: -131.064
flat angles P-C4'-P energy: -78.251
tors. eta vs tors. theta energy: -53.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1125.716680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.716680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.716680 (E_RNA)
where:
Base-Base interactions energy: -594.101
where: short stacking energy: -319.773
Base-Backbone interact. energy: 0.278
local terms energy: -531.894117
where:
bonds (distance) C4'-P energy: -157.949
bonds (distance) P-C4' energy: -140.864
flat angles C4'-P-C4' energy: -138.564
flat angles P-C4'-P energy: -80.006
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -829.938427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.938427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.938427 (E_RNA)
where:
Base-Base interactions energy: -342.430
where: short stacking energy: -249.051
Base-Backbone interact. energy: -0.670
local terms energy: -486.839160
where:
bonds (distance) C4'-P energy: -130.222
bonds (distance) P-C4' energy: -151.962
flat angles C4'-P-C4' energy: -131.064
flat angles P-C4'-P energy: -96.029
tors. eta vs tors. theta energy: 22.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -3085.813148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3085.813148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3085.813148 (E_RNA)
where:
Base-Base interactions energy: -2124.347
where: short stacking energy: -856.562
Base-Backbone interact. energy: -4.604
local terms energy: -956.862148
where:
bonds (distance) C4'-P energy: -173.832
bonds (distance) P-C4' energy: -184.312
flat angles C4'-P-C4' energy: -216.334
flat angles P-C4'-P energy: -129.079
tors. eta vs tors. theta energy: -253.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2995.057838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.057838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.057838 (E_RNA)
where:
Base-Base interactions energy: -2021.613
where: short stacking energy: -871.861
Base-Backbone interact. energy: -0.207
local terms energy: -973.237537
where:
bonds (distance) C4'-P energy: -183.699
bonds (distance) P-C4' energy: -205.322
flat angles C4'-P-C4' energy: -201.047
flat angles P-C4'-P energy: -122.629
tors. eta vs tors. theta energy: -260.541
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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2784.097424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.097424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.097424 (E_RNA)
where:
Base-Base interactions energy: -1864.079
where: short stacking energy: -799.188
Base-Backbone interact. energy: -3.437
local terms energy: -916.582161
where:
bonds (distance) C4'-P energy: -181.183
bonds (distance) P-C4' energy: -161.192
flat angles C4'-P-C4' energy: -208.753
flat angles P-C4'-P energy: -128.552
tors. eta vs tors. theta energy: -236.902
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: 308
Temperature: 1.050000
Total energy: -2685.639692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.639692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.639692 (E_RNA)
where:
Base-Base interactions energy: -1844.744
where: short stacking energy: -787.968
Base-Backbone interact. energy: 0.000
local terms energy: -840.895673
where:
bonds (distance) C4'-P energy: -138.356
bonds (distance) P-C4' energy: -177.799
flat angles C4'-P-C4' energy: -179.526
flat angles P-C4'-P energy: -121.554
tors. eta vs tors. theta energy: -223.661
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: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2477.387846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.387846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.387846 (E_RNA)
where:
Base-Base interactions energy: -1628.330
where: short stacking energy: -720.873
Base-Backbone interact. energy: -1.453
local terms energy: -847.604852
where:
bonds (distance) C4'-P energy: -170.239
bonds (distance) P-C4' energy: -164.916
flat angles C4'-P-C4' energy: -167.113
flat angles P-C4'-P energy: -130.341
tors. eta vs tors. theta energy: -214.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2344.401555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.401555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.401555 (E_RNA)
where:
Base-Base interactions energy: -1589.090
where: short stacking energy: -652.775
Base-Backbone interact. energy: 2.038
local terms energy: -757.349801
where:
bonds (distance) C4'-P energy: -126.415
bonds (distance) P-C4' energy: -158.043
flat angles C4'-P-C4' energy: -179.762
flat angles P-C4'-P energy: -110.141
tors. eta vs tors. theta energy: -182.988
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: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1983.175407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.175407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.175407 (E_RNA)
where:
Base-Base interactions energy: -1294.219
where: short stacking energy: -575.891
Base-Backbone interact. energy: -2.685
local terms energy: -686.271565
where:
bonds (distance) C4'-P energy: -142.468
bonds (distance) P-C4' energy: -151.026
flat angles C4'-P-C4' energy: -158.037
flat angles P-C4'-P energy: -114.543
tors. eta vs tors. theta energy: -120.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1295.164671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.164671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.164671 (E_RNA)
where:
Base-Base interactions energy: -730.187
where: short stacking energy: -363.013
Base-Backbone interact. energy: 6.636
local terms energy: -571.613566
where:
bonds (distance) C4'-P energy: -159.997
bonds (distance) P-C4' energy: -141.622
flat angles C4'-P-C4' energy: -150.518
flat angles P-C4'-P energy: -83.671
tors. eta vs tors. theta energy: -35.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1110.686958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.686958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.686958 (E_RNA)
where:
Base-Base interactions energy: -596.592
where: short stacking energy: -290.719
Base-Backbone interact. energy: 0.324
local terms energy: -514.419361
where:
bonds (distance) C4'-P energy: -139.441
bonds (distance) P-C4' energy: -145.172
flat angles C4'-P-C4' energy: -129.756
flat angles P-C4'-P energy: -80.847
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -836.736968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.736968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.736968 (E_RNA)
where:
Base-Base interactions energy: -367.554
where: short stacking energy: -232.455
Base-Backbone interact. energy: -5.651
local terms energy: -463.531479
where:
bonds (distance) C4'-P energy: -136.063
bonds (distance) P-C4' energy: -138.483
flat angles C4'-P-C4' energy: -123.665
flat angles P-C4'-P energy: -84.734
tors. eta vs tors. theta energy: 19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -3083.140243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3083.140243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3083.140243 (E_RNA)
where:
Base-Base interactions energy: -2113.277
where: short stacking energy: -883.346
Base-Backbone interact. energy: -1.423
local terms energy: -968.440729
where:
bonds (distance) C4'-P energy: -162.535
bonds (distance) P-C4' energy: -191.480
flat angles C4'-P-C4' energy: -212.675
flat angles P-C4'-P energy: -147.396
tors. eta vs tors. theta energy: -254.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2999.286865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.286865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.286865 (E_RNA)
where:
Base-Base interactions energy: -2056.089
where: short stacking energy: -873.117
Base-Backbone interact. energy: -3.456
local terms energy: -939.741997
where:
bonds (distance) C4'-P energy: -164.596
bonds (distance) P-C4' energy: -177.522
flat angles C4'-P-C4' energy: -201.068
flat angles P-C4'-P energy: -122.577
tors. eta vs tors. theta energy: -273.979
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: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2766.248992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.248992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.248992 (E_RNA)
where:
Base-Base interactions energy: -1886.259
where: short stacking energy: -826.159
Base-Backbone interact. energy: -2.315
local terms energy: -877.674843
where:
bonds (distance) C4'-P energy: -166.404
bonds (distance) P-C4' energy: -167.100
flat angles C4'-P-C4' energy: -200.317
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -244.616
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: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2663.830406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.830406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.830406 (E_RNA)
where:
Base-Base interactions energy: -1830.813
where: short stacking energy: -754.226
Base-Backbone interact. energy: 10.245
local terms energy: -843.262039
where:
bonds (distance) C4'-P energy: -164.901
bonds (distance) P-C4' energy: -165.642
flat angles C4'-P-C4' energy: -175.703
flat angles P-C4'-P energy: -123.423
tors. eta vs tors. theta energy: -213.594
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2458.586727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.586727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.586727 (E_RNA)
where:
Base-Base interactions energy: -1669.363
where: short stacking energy: -691.460
Base-Backbone interact. energy: 2.562
local terms energy: -791.784944
where:
bonds (distance) C4'-P energy: -140.298
bonds (distance) P-C4' energy: -161.360
flat angles C4'-P-C4' energy: -181.240
flat angles P-C4'-P energy: -107.873
tors. eta vs tors. theta energy: -201.014
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: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2217.360514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.360514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.360514 (E_RNA)
where:
Base-Base interactions energy: -1419.400
where: short stacking energy: -622.688
Base-Backbone interact. energy: -6.171
local terms energy: -791.789965
where:
bonds (distance) C4'-P energy: -180.337
bonds (distance) P-C4' energy: -157.118
flat angles C4'-P-C4' energy: -172.367
flat angles P-C4'-P energy: -116.035
tors. eta vs tors. theta energy: -165.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1965.709203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.709203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.709203 (E_RNA)
where:
Base-Base interactions energy: -1268.720
where: short stacking energy: -532.805
Base-Backbone interact. energy: 1.106
local terms energy: -698.094685
where:
bonds (distance) C4'-P energy: -160.234
bonds (distance) P-C4' energy: -155.478
flat angles C4'-P-C4' energy: -173.120
flat angles P-C4'-P energy: -111.748
tors. eta vs tors. theta energy: -97.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1382.356590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.356590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.356590 (E_RNA)
where:
Base-Base interactions energy: -833.434
where: short stacking energy: -371.716
Base-Backbone interact. energy: 6.342
local terms energy: -555.264283
where:
bonds (distance) C4'-P energy: -141.452
bonds (distance) P-C4' energy: -163.698
flat angles C4'-P-C4' energy: -135.555
flat angles P-C4'-P energy: -103.036
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1149.942449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.942449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.942449 (E_RNA)
where:
Base-Base interactions energy: -645.613
where: short stacking energy: -317.283
Base-Backbone interact. energy: -3.658
local terms energy: -500.671281
where:
bonds (distance) C4'-P energy: -152.623
bonds (distance) P-C4' energy: -135.616
flat angles C4'-P-C4' energy: -110.818
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -29.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -874.458750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.458750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.458750 (E_RNA)
where:
Base-Base interactions energy: -385.718
where: short stacking energy: -246.875
Base-Backbone interact. energy: 2.973
local terms energy: -491.713008
where:
bonds (distance) C4'-P energy: -156.973
bonds (distance) P-C4' energy: -149.869
flat angles C4'-P-C4' energy: -135.591
flat angles P-C4'-P energy: -68.561
tors. eta vs tors. theta energy: 19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -3093.781844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3093.781844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3093.781844 (E_RNA)
where:
Base-Base interactions energy: -2124.230
where: short stacking energy: -877.440
Base-Backbone interact. energy: -6.487
local terms energy: -963.064700
where:
bonds (distance) C4'-P energy: -185.282
bonds (distance) P-C4' energy: -163.429
flat angles C4'-P-C4' energy: -214.825
flat angles P-C4'-P energy: -148.267
tors. eta vs tors. theta energy: -251.261
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2973.669190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2973.669190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.669190 (E_RNA)
where:
Base-Base interactions energy: -1986.268
where: short stacking energy: -883.083
Base-Backbone interact. energy: -1.095
local terms energy: -986.306600
where:
bonds (distance) C4'-P energy: -185.804
bonds (distance) P-C4' energy: -178.889
flat angles C4'-P-C4' energy: -200.287
flat angles P-C4'-P energy: -142.834
tors. eta vs tors. theta energy: -278.493
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: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2799.575020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.575020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.575020 (E_RNA)
where:
Base-Base interactions energy: -1915.262
where: short stacking energy: -868.581
Base-Backbone interact. energy: -2.865
local terms energy: -881.448194
where:
bonds (distance) C4'-P energy: -154.814
bonds (distance) P-C4' energy: -186.543
flat angles C4'-P-C4' energy: -187.816
flat angles P-C4'-P energy: -109.422
tors. eta vs tors. theta energy: -242.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2682.278273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.278273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.278273 (E_RNA)
where:
Base-Base interactions energy: -1828.908
where: short stacking energy: -755.953
Base-Backbone interact. energy: -4.070
local terms energy: -849.299790
where:
bonds (distance) C4'-P energy: -156.796
bonds (distance) P-C4' energy: -169.059
flat angles C4'-P-C4' energy: -198.005
flat angles P-C4'-P energy: -108.004
tors. eta vs tors. theta energy: -217.435
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: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2385.510342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.510342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.510342 (E_RNA)
where:
Base-Base interactions energy: -1587.700
where: short stacking energy: -666.505
Base-Backbone interact. energy: 2.440
local terms energy: -800.250606
where:
bonds (distance) C4'-P energy: -172.352
bonds (distance) P-C4' energy: -163.744
flat angles C4'-P-C4' energy: -180.474
flat angles P-C4'-P energy: -95.572
tors. eta vs tors. theta energy: -188.108
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: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2209.733931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.733931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.733931 (E_RNA)
where:
Base-Base interactions energy: -1456.711
where: short stacking energy: -600.729
Base-Backbone interact. energy: 1.637
local terms energy: -754.660369
where:
bonds (distance) C4'-P energy: -142.974
bonds (distance) P-C4' energy: -175.654
flat angles C4'-P-C4' energy: -165.438
flat angles P-C4'-P energy: -105.852
tors. eta vs tors. theta energy: -164.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2035.465598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.465598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.465598 (E_RNA)
where:
Base-Base interactions energy: -1358.778
where: short stacking energy: -605.955
Base-Backbone interact. energy: 3.484
local terms energy: -680.172252
where:
bonds (distance) C4'-P energy: -148.616
bonds (distance) P-C4' energy: -139.874
flat angles C4'-P-C4' energy: -169.674
flat angles P-C4'-P energy: -89.283
tors. eta vs tors. theta energy: -132.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1386.743702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.743702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.743702 (E_RNA)
where:
Base-Base interactions energy: -819.717
where: short stacking energy: -404.353
Base-Backbone interact. energy: -3.364
local terms energy: -563.663564
where:
bonds (distance) C4'-P energy: -142.278
bonds (distance) P-C4' energy: -153.790
flat angles C4'-P-C4' energy: -128.633
flat angles P-C4'-P energy: -84.434
tors. eta vs tors. theta energy: -54.528
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: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1080.115999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.115999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.115999 (E_RNA)
where:
Base-Base interactions energy: -547.664
where: short stacking energy: -291.071
Base-Backbone interact. energy: 4.716
local terms energy: -537.168218
where:
bonds (distance) C4'-P energy: -145.102
bonds (distance) P-C4' energy: -143.661
flat angles C4'-P-C4' energy: -133.821
flat angles P-C4'-P energy: -93.331
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -816.817392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.817392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.817392 (E_RNA)
where:
Base-Base interactions energy: -388.673
where: short stacking energy: -246.079
Base-Backbone interact. energy: 5.712
local terms energy: -433.856147
where:
bonds (distance) C4'-P energy: -129.167
bonds (distance) P-C4' energy: -140.035
flat angles C4'-P-C4' energy: -104.374
flat angles P-C4'-P energy: -64.403
tors. eta vs tors. theta energy: 4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -3096.019228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3096.019228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3096.019228 (E_RNA)
where:
Base-Base interactions energy: -2155.141
where: short stacking energy: -893.478
Base-Backbone interact. energy: -3.305
local terms energy: -937.573585
where:
bonds (distance) C4'-P energy: -164.227
bonds (distance) P-C4' energy: -162.161
flat angles C4'-P-C4' energy: -204.388
flat angles P-C4'-P energy: -145.635
tors. eta vs tors. theta energy: -261.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2936.902419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.902419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.902419 (E_RNA)
where:
Base-Base interactions energy: -2006.984
where: short stacking energy: -869.527
Base-Backbone interact. energy: -4.882
local terms energy: -925.036428
where:
bonds (distance) C4'-P energy: -163.465
bonds (distance) P-C4' energy: -171.497
flat angles C4'-P-C4' energy: -196.306
flat angles P-C4'-P energy: -139.339
tors. eta vs tors. theta energy: -254.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2779.913504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.913504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.913504 (E_RNA)
where:
Base-Base interactions energy: -1876.297
where: short stacking energy: -843.167
Base-Backbone interact. energy: 0.149
local terms energy: -903.765483
where:
bonds (distance) C4'-P energy: -162.703
bonds (distance) P-C4' energy: -182.121
flat angles C4'-P-C4' energy: -175.283
flat angles P-C4'-P energy: -129.928
tors. eta vs tors. theta energy: -253.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2663.202772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.202772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.202772 (E_RNA)
where:
Base-Base interactions energy: -1827.624
where: short stacking energy: -761.652
Base-Backbone interact. energy: 0.939
local terms energy: -836.517324
where:
bonds (distance) C4'-P energy: -156.427
bonds (distance) P-C4' energy: -175.815
flat angles C4'-P-C4' energy: -174.055
flat angles P-C4'-P energy: -115.197
tors. eta vs tors. theta energy: -215.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2487.737732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.737732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.737732 (E_RNA)
where:
Base-Base interactions energy: -1690.362
where: short stacking energy: -732.544
Base-Backbone interact. energy: -8.117
local terms energy: -789.258639
where:
bonds (distance) C4'-P energy: -152.335
bonds (distance) P-C4' energy: -154.402
flat angles C4'-P-C4' energy: -185.120
flat angles P-C4'-P energy: -94.954
tors. eta vs tors. theta energy: -202.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2213.513102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.513102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.513102 (E_RNA)
where:
Base-Base interactions energy: -1485.930
where: short stacking energy: -629.263
Base-Backbone interact. energy: -3.325
local terms energy: -724.258639
where:
bonds (distance) C4'-P energy: -164.099
bonds (distance) P-C4' energy: -168.503
flat angles C4'-P-C4' energy: -161.404
flat angles P-C4'-P energy: -74.120
tors. eta vs tors. theta energy: -156.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2067.776228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.776228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.776228 (E_RNA)
where:
Base-Base interactions energy: -1349.771
where: short stacking energy: -606.835
Base-Backbone interact. energy: 1.562
local terms energy: -719.566871
where:
bonds (distance) C4'-P energy: -156.742
bonds (distance) P-C4' energy: -148.879
flat angles C4'-P-C4' energy: -161.446
flat angles P-C4'-P energy: -99.312
tors. eta vs tors. theta energy: -153.189
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: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1398.537845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.537845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.537845 (E_RNA)
where:
Base-Base interactions energy: -805.746
where: short stacking energy: -389.509
Base-Backbone interact. energy: 5.721
local terms energy: -598.512497
where:
bonds (distance) C4'-P energy: -141.873
bonds (distance) P-C4' energy: -173.342
flat angles C4'-P-C4' energy: -150.004
flat angles P-C4'-P energy: -93.659
tors. eta vs tors. theta energy: -39.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1063.642818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.642818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.642818 (E_RNA)
where:
Base-Base interactions energy: -568.861
where: short stacking energy: -316.013
Base-Backbone interact. energy: 0.290
local terms energy: -495.072154
where:
bonds (distance) C4'-P energy: -129.339
bonds (distance) P-C4' energy: -144.768
flat angles C4'-P-C4' energy: -146.266
flat angles P-C4'-P energy: -73.920
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -836.424999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.424999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.424999 (E_RNA)
where:
Base-Base interactions energy: -387.821
where: short stacking energy: -245.988
Base-Backbone interact. energy: 3.839
local terms energy: -452.443356
where:
bonds (distance) C4'-P energy: -131.275
bonds (distance) P-C4' energy: -148.373
flat angles C4'-P-C4' energy: -114.542
flat angles P-C4'-P energy: -77.292
tors. eta vs tors. theta energy: 19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -3090.455037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3090.455037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3090.455037 (E_RNA)
where:
Base-Base interactions energy: -2146.990
where: short stacking energy: -884.408
Base-Backbone interact. energy: -3.739
local terms energy: -939.726013
where:
bonds (distance) C4'-P energy: -173.841
bonds (distance) P-C4' energy: -174.271
flat angles C4'-P-C4' energy: -197.833
flat angles P-C4'-P energy: -142.872
tors. eta vs tors. theta energy: -250.910
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: 312
Temperature: 0.950000
Total energy: -2990.434527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.434527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.434527 (E_RNA)
where:
Base-Base interactions energy: -2036.496
where: short stacking energy: -876.348
Base-Backbone interact. energy: -4.306
local terms energy: -949.632305
where:
bonds (distance) C4'-P energy: -180.240
bonds (distance) P-C4' energy: -180.590
flat angles C4'-P-C4' energy: -193.288
flat angles P-C4'-P energy: -127.207
tors. eta vs tors. theta energy: -268.307
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2799.580426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.580426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.580426 (E_RNA)
where:
Base-Base interactions energy: -1890.360
where: short stacking energy: -831.609
Base-Backbone interact. energy: -1.099
local terms energy: -908.121465
where:
bonds (distance) C4'-P energy: -167.426
bonds (distance) P-C4' energy: -167.751
flat angles C4'-P-C4' energy: -196.975
flat angles P-C4'-P energy: -124.125
tors. eta vs tors. theta energy: -251.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2686.662756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.662756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.662756 (E_RNA)
where:
Base-Base interactions energy: -1845.458
where: short stacking energy: -749.016
Base-Backbone interact. energy: -2.347
local terms energy: -838.858319
where:
bonds (distance) C4'-P energy: -148.801
bonds (distance) P-C4' energy: -164.059
flat angles C4'-P-C4' energy: -193.229
flat angles P-C4'-P energy: -121.438
tors. eta vs tors. theta energy: -211.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2482.060971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.060971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.060971 (E_RNA)
where:
Base-Base interactions energy: -1642.172
where: short stacking energy: -707.485
Base-Backbone interact. energy: -1.519
local terms energy: -838.369374
where:
bonds (distance) C4'-P energy: -164.765
bonds (distance) P-C4' energy: -173.328
flat angles C4'-P-C4' energy: -184.252
flat angles P-C4'-P energy: -114.946
tors. eta vs tors. theta energy: -201.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2255.226537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.226537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.226537 (E_RNA)
where:
Base-Base interactions energy: -1510.265
where: short stacking energy: -609.434
Base-Backbone interact. energy: -5.504
local terms energy: -739.457546
where:
bonds (distance) C4'-P energy: -140.155
bonds (distance) P-C4' energy: -167.243
flat angles C4'-P-C4' energy: -167.649
flat angles P-C4'-P energy: -89.757
tors. eta vs tors. theta energy: -174.654
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: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2042.298593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.298593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.298593 (E_RNA)
where:
Base-Base interactions energy: -1321.528
where: short stacking energy: -560.899
Base-Backbone interact. energy: 4.792
local terms energy: -725.562464
where:
bonds (distance) C4'-P energy: -143.332
bonds (distance) P-C4' energy: -171.552
flat angles C4'-P-C4' energy: -152.221
flat angles P-C4'-P energy: -109.901
tors. eta vs tors. theta energy: -148.557
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: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1426.056613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.056613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.056613 (E_RNA)
where:
Base-Base interactions energy: -854.002
where: short stacking energy: -391.599
Base-Backbone interact. energy: 2.412
local terms energy: -574.466528
where:
bonds (distance) C4'-P energy: -136.186
bonds (distance) P-C4' energy: -147.285
flat angles C4'-P-C4' energy: -148.784
flat angles P-C4'-P energy: -92.351
tors. eta vs tors. theta energy: -49.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1082.184219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.184219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.184219 (E_RNA)
where:
Base-Base interactions energy: -572.893
where: short stacking energy: -324.571
Base-Backbone interact. energy: -2.363
local terms energy: -506.928289
where:
bonds (distance) C4'-P energy: -135.835
bonds (distance) P-C4' energy: -144.326
flat angles C4'-P-C4' energy: -143.697
flat angles P-C4'-P energy: -68.842
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -839.259666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.259666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.259666 (E_RNA)
where:
Base-Base interactions energy: -383.315
where: short stacking energy: -241.792
Base-Backbone interact. energy: 2.751
local terms energy: -458.695507
where:
bonds (distance) C4'-P energy: -127.169
bonds (distance) P-C4' energy: -148.890
flat angles C4'-P-C4' energy: -138.230
flat angles P-C4'-P energy: -54.598
tors. eta vs tors. theta energy: 10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -3066.828573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3066.828573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3066.828573 (E_RNA)
where:
Base-Base interactions energy: -2128.569
where: short stacking energy: -850.381
Base-Backbone interact. energy: -4.417
local terms energy: -933.842133
where:
bonds (distance) C4'-P energy: -177.755
bonds (distance) P-C4' energy: -184.752
flat angles C4'-P-C4' energy: -185.873
flat angles P-C4'-P energy: -136.845
tors. eta vs tors. theta energy: -248.617
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: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2983.552478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.552478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.552478 (E_RNA)
where:
Base-Base interactions energy: -2051.519
where: short stacking energy: -888.638
Base-Backbone interact. energy: -1.586
local terms energy: -930.447880
where:
bonds (distance) C4'-P energy: -162.348
bonds (distance) P-C4' energy: -187.033
flat angles C4'-P-C4' energy: -186.654
flat angles P-C4'-P energy: -124.960
tors. eta vs tors. theta energy: -269.452
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: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2777.376916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.376916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.376916 (E_RNA)
where:
Base-Base interactions energy: -1837.565
where: short stacking energy: -845.476
Base-Backbone interact. energy: -1.892
local terms energy: -937.919410
where:
bonds (distance) C4'-P energy: -174.251
bonds (distance) P-C4' energy: -186.736
flat angles C4'-P-C4' energy: -195.757
flat angles P-C4'-P energy: -114.439
tors. eta vs tors. theta energy: -266.737
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: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2602.617126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.617126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.617126 (E_RNA)
where:
Base-Base interactions energy: -1766.185
where: short stacking energy: -727.072
Base-Backbone interact. energy: -2.017
local terms energy: -834.415634
where:
bonds (distance) C4'-P energy: -170.456
bonds (distance) P-C4' energy: -159.259
flat angles C4'-P-C4' energy: -176.857
flat angles P-C4'-P energy: -129.226
tors. eta vs tors. theta energy: -198.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2540.064506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.064506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.064506 (E_RNA)
where:
Base-Base interactions energy: -1713.341
where: short stacking energy: -744.990
Base-Backbone interact. energy: 4.356
local terms energy: -831.079190
where:
bonds (distance) C4'-P energy: -139.832
bonds (distance) P-C4' energy: -174.568
flat angles C4'-P-C4' energy: -183.639
flat angles P-C4'-P energy: -129.914
tors. eta vs tors. theta energy: -203.126
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: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2292.042239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.042239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.042239 (E_RNA)
where:
Base-Base interactions energy: -1544.984
where: short stacking energy: -647.161
Base-Backbone interact. energy: -2.861
local terms energy: -744.197851
where:
bonds (distance) C4'-P energy: -134.359
bonds (distance) P-C4' energy: -148.455
flat angles C4'-P-C4' energy: -185.841
flat angles P-C4'-P energy: -90.644
tors. eta vs tors. theta energy: -184.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2039.372231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.372231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.372231 (E_RNA)
where:
Base-Base interactions energy: -1351.266
where: short stacking energy: -597.530
Base-Backbone interact. energy: 3.173
local terms energy: -691.279101
where:
bonds (distance) C4'-P energy: -147.200
bonds (distance) P-C4' energy: -151.291
flat angles C4'-P-C4' energy: -160.104
flat angles P-C4'-P energy: -88.608
tors. eta vs tors. theta energy: -144.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1375.239330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.239330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.239330 (E_RNA)
where:
Base-Base interactions energy: -806.884
where: short stacking energy: -406.630
Base-Backbone interact. energy: 1.698
local terms energy: -570.052974
where:
bonds (distance) C4'-P energy: -149.478
bonds (distance) P-C4' energy: -136.268
flat angles C4'-P-C4' energy: -147.137
flat angles P-C4'-P energy: -94.419
tors. eta vs tors. theta energy: -42.751
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: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1118.026452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.026452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.026452 (E_RNA)
where:
Base-Base interactions energy: -559.946
where: short stacking energy: -304.994
Base-Backbone interact. energy: 1.406
local terms energy: -559.486356
where:
bonds (distance) C4'-P energy: -151.439
bonds (distance) P-C4' energy: -152.997
flat angles C4'-P-C4' energy: -142.631
flat angles P-C4'-P energy: -96.959
tors. eta vs tors. theta energy: -15.461
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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -829.558917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.558917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.558917 (E_RNA)
where:
Base-Base interactions energy: -364.142
where: short stacking energy: -213.813
Base-Backbone interact. energy: 3.537
local terms energy: -468.954450
where:
bonds (distance) C4'-P energy: -140.941
bonds (distance) P-C4' energy: -141.547
flat angles C4'-P-C4' energy: -129.574
flat angles P-C4'-P energy: -86.194
tors. eta vs tors. theta energy: 29.301
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: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -3070.020660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3070.020660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3070.020660 (E_RNA)
where:
Base-Base interactions energy: -2108.028
where: short stacking energy: -859.145
Base-Backbone interact. energy: -4.418
local terms energy: -957.574171
where:
bonds (distance) C4'-P energy: -173.118
bonds (distance) P-C4' energy: -193.815
flat angles C4'-P-C4' energy: -210.704
flat angles P-C4'-P energy: -127.596
tors. eta vs tors. theta energy: -252.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -3008.525531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.525531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.525531 (E_RNA)
where:
Base-Base interactions energy: -2062.151
where: short stacking energy: -893.619
Base-Backbone interact. energy: -3.904
local terms energy: -942.470336
where:
bonds (distance) C4'-P energy: -180.049
bonds (distance) P-C4' energy: -166.211
flat angles C4'-P-C4' energy: -205.295
flat angles P-C4'-P energy: -118.498
tors. eta vs tors. theta energy: -272.417
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: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2810.899159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.899159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.899159 (E_RNA)
where:
Base-Base interactions energy: -1900.712
where: short stacking energy: -844.541
Base-Backbone interact. energy: 0.344
local terms energy: -910.531745
where:
bonds (distance) C4'-P energy: -153.908
bonds (distance) P-C4' energy: -178.488
flat angles C4'-P-C4' energy: -186.342
flat angles P-C4'-P energy: -133.912
tors. eta vs tors. theta energy: -257.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2657.429291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.429291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.429291 (E_RNA)
where:
Base-Base interactions energy: -1781.763
where: short stacking energy: -756.590
Base-Backbone interact. energy: -2.864
local terms energy: -872.801567
where:
bonds (distance) C4'-P energy: -167.825
bonds (distance) P-C4' energy: -174.680
flat angles C4'-P-C4' energy: -190.960
flat angles P-C4'-P energy: -118.808
tors. eta vs tors. theta energy: -220.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2543.471669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.471669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.471669 (E_RNA)
where:
Base-Base interactions energy: -1708.829
where: short stacking energy: -754.156
Base-Backbone interact. energy: -3.365
local terms energy: -831.277309
where:
bonds (distance) C4'-P energy: -172.572
bonds (distance) P-C4' energy: -152.561
flat angles C4'-P-C4' energy: -179.220
flat angles P-C4'-P energy: -112.296
tors. eta vs tors. theta energy: -214.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2204.440103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.440103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.440103 (E_RNA)
where:
Base-Base interactions energy: -1473.230
where: short stacking energy: -624.555
Base-Backbone interact. energy: -2.949
local terms energy: -728.261034
where:
bonds (distance) C4'-P energy: -132.932
bonds (distance) P-C4' energy: -166.529
flat angles C4'-P-C4' energy: -164.928
flat angles P-C4'-P energy: -107.333
tors. eta vs tors. theta energy: -156.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2082.945097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.945097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.945097 (E_RNA)
where:
Base-Base interactions energy: -1364.311
where: short stacking energy: -605.643
Base-Backbone interact. energy: -3.285
local terms energy: -715.349551
where:
bonds (distance) C4'-P energy: -151.837
bonds (distance) P-C4' energy: -156.230
flat angles C4'-P-C4' energy: -157.263
flat angles P-C4'-P energy: -98.248
tors. eta vs tors. theta energy: -151.771
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: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1358.450774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.450774 (E_RNA)
where:
Base-Base interactions energy: -833.112
where: short stacking energy: -372.588
Base-Backbone interact. energy: 3.403
local terms energy: -528.741815
where:
bonds (distance) C4'-P energy: -125.034
bonds (distance) P-C4' energy: -149.142
flat angles C4'-P-C4' energy: -143.166
flat angles P-C4'-P energy: -82.316
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1129.863868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.863868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.863868 (E_RNA)
where:
Base-Base interactions energy: -615.683
where: short stacking energy: -317.043
Base-Backbone interact. energy: -1.119
local terms energy: -513.062353
where:
bonds (distance) C4'-P energy: -130.383
bonds (distance) P-C4' energy: -160.668
flat angles C4'-P-C4' energy: -145.148
flat angles P-C4'-P energy: -69.984
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -926.615888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.615888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.615888 (E_RNA)
where:
Base-Base interactions energy: -430.831
where: short stacking energy: -220.598
Base-Backbone interact. energy: 1.835
local terms energy: -497.619900
where:
bonds (distance) C4'-P energy: -143.791
bonds (distance) P-C4' energy: -154.935
flat angles C4'-P-C4' energy: -138.720
flat angles P-C4'-P energy: -66.995
tors. eta vs tors. theta energy: 6.823
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: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -3069.819683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3069.819683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3069.819683 (E_RNA)
where:
Base-Base interactions energy: -2098.438
where: short stacking energy: -856.024
Base-Backbone interact. energy: -4.854
local terms energy: -966.526970
where:
bonds (distance) C4'-P energy: -186.761
bonds (distance) P-C4' energy: -184.378
flat angles C4'-P-C4' energy: -196.691
flat angles P-C4'-P energy: -146.389
tors. eta vs tors. theta energy: -252.308
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: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2981.540566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.540566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.540566 (E_RNA)
where:
Base-Base interactions energy: -2050.534
where: short stacking energy: -877.095
Base-Backbone interact. energy: -3.967
local terms energy: -927.039658
where:
bonds (distance) C4'-P energy: -168.505
bonds (distance) P-C4' energy: -172.626
flat angles C4'-P-C4' energy: -192.470
flat angles P-C4'-P energy: -120.873
tors. eta vs tors. theta energy: -272.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2768.025818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.025818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.025818 (E_RNA)
where:
Base-Base interactions energy: -1884.268
where: short stacking energy: -819.514
Base-Backbone interact. energy: -1.858
local terms energy: -881.899836
where:
bonds (distance) C4'-P energy: -164.704
bonds (distance) P-C4' energy: -148.540
flat angles C4'-P-C4' energy: -197.441
flat angles P-C4'-P energy: -134.472
tors. eta vs tors. theta energy: -236.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2650.594616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.594616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.594616 (E_RNA)
where:
Base-Base interactions energy: -1819.970
where: short stacking energy: -797.380
Base-Backbone interact. energy: -2.205
local terms energy: -828.419041
where:
bonds (distance) C4'-P energy: -165.077
bonds (distance) P-C4' energy: -158.469
flat angles C4'-P-C4' energy: -184.631
flat angles P-C4'-P energy: -110.188
tors. eta vs tors. theta energy: -210.054
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: 315
Temperature: 1.100000
Total energy: -2517.477181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.477181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.477181 (E_RNA)
where:
Base-Base interactions energy: -1670.077
where: short stacking energy: -731.101
Base-Backbone interact. energy: -2.462
local terms energy: -844.937910
where:
bonds (distance) C4'-P energy: -161.962
bonds (distance) P-C4' energy: -167.179
flat angles C4'-P-C4' energy: -190.244
flat angles P-C4'-P energy: -109.624
tors. eta vs tors. theta energy: -215.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2229.010879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.010879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.010879 (E_RNA)
where:
Base-Base interactions energy: -1460.606
where: short stacking energy: -630.229
Base-Backbone interact. energy: -0.216
local terms energy: -768.189221
where:
bonds (distance) C4'-P energy: -144.667
bonds (distance) P-C4' energy: -157.590
flat angles C4'-P-C4' energy: -180.671
flat angles P-C4'-P energy: -119.406
tors. eta vs tors. theta energy: -165.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1982.317682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.317682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.317682 (E_RNA)
where:
Base-Base interactions energy: -1288.364
where: short stacking energy: -550.247
Base-Backbone interact. energy: 2.219
local terms energy: -696.172777
where:
bonds (distance) C4'-P energy: -153.525
bonds (distance) P-C4' energy: -151.458
flat angles C4'-P-C4' energy: -161.420
flat angles P-C4'-P energy: -95.508
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: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1379.576159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.576159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.576159 (E_RNA)
where:
Base-Base interactions energy: -810.312
where: short stacking energy: -380.581
Base-Backbone interact. energy: 0.176
local terms energy: -569.439722
where:
bonds (distance) C4'-P energy: -121.921
bonds (distance) P-C4' energy: -159.808
flat angles C4'-P-C4' energy: -162.316
flat angles P-C4'-P energy: -78.660
tors. eta vs tors. theta energy: -46.735
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: 315
Temperature: 1.300000
Total energy: -1049.756175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.756175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.756175 (E_RNA)
where:
Base-Base interactions energy: -557.119
where: short stacking energy: -315.124
Base-Backbone interact. energy: -2.467
local terms energy: -490.170201
where:
bonds (distance) C4'-P energy: -124.409
bonds (distance) P-C4' energy: -155.383
flat angles C4'-P-C4' energy: -119.916
flat angles P-C4'-P energy: -80.794
tors. eta vs tors. theta energy: -9.668
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: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -942.173274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.173274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.173274 (E_RNA)
where:
Base-Base interactions energy: -457.840
where: short stacking energy: -246.249
Base-Backbone interact. energy: 2.854
local terms energy: -487.187512
where:
bonds (distance) C4'-P energy: -145.673
bonds (distance) P-C4' energy: -149.910
flat angles C4'-P-C4' energy: -122.838
flat angles P-C4'-P energy: -61.491
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -3061.588718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.588718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.588718 (E_RNA)
where:
Base-Base interactions energy: -2114.639
where: short stacking energy: -882.441
Base-Backbone interact. energy: -4.004
local terms energy: -942.946133
where:
bonds (distance) C4'-P energy: -177.311
bonds (distance) P-C4' energy: -175.831
flat angles C4'-P-C4' energy: -186.032
flat angles P-C4'-P energy: -147.377
tors. eta vs tors. theta energy: -256.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2999.557761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.557761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.557761 (E_RNA)
where:
Base-Base interactions energy: -2044.606
where: short stacking energy: -869.010
Base-Backbone interact. energy: 0.409
local terms energy: -955.361188
where:
bonds (distance) C4'-P energy: -166.122
bonds (distance) P-C4' energy: -177.108
flat angles C4'-P-C4' energy: -201.513
flat angles P-C4'-P energy: -137.394
tors. eta vs tors. theta energy: -273.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2769.088829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.088829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.088829 (E_RNA)
where:
Base-Base interactions energy: -1884.110
where: short stacking energy: -801.391
Base-Backbone interact. energy: -0.872
local terms energy: -884.107405
where:
bonds (distance) C4'-P energy: -158.421
bonds (distance) P-C4' energy: -161.589
flat angles C4'-P-C4' energy: -195.953
flat angles P-C4'-P energy: -129.330
tors. eta vs tors. theta energy: -238.815
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: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2659.132725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.132725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.132725 (E_RNA)
where:
Base-Base interactions energy: -1783.809
where: short stacking energy: -780.375
Base-Backbone interact. energy: -5.082
local terms energy: -870.242470
where:
bonds (distance) C4'-P energy: -161.173
bonds (distance) P-C4' energy: -170.915
flat angles C4'-P-C4' energy: -198.025
flat angles P-C4'-P energy: -125.394
tors. eta vs tors. theta energy: -214.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2532.018010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.018010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.018010 (E_RNA)
where:
Base-Base interactions energy: -1687.410
where: short stacking energy: -730.291
Base-Backbone interact. energy: -2.658
local terms energy: -841.949920
where:
bonds (distance) C4'-P energy: -165.431
bonds (distance) P-C4' energy: -164.566
flat angles C4'-P-C4' energy: -184.513
flat angles P-C4'-P energy: -105.372
tors. eta vs tors. theta energy: -222.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2150.954615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.954615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.954615 (E_RNA)
where:
Base-Base interactions energy: -1436.577
where: short stacking energy: -613.006
Base-Backbone interact. energy: -3.047
local terms energy: -711.330179
where:
bonds (distance) C4'-P energy: -149.590
bonds (distance) P-C4' energy: -166.868
flat angles C4'-P-C4' energy: -157.072
flat angles P-C4'-P energy: -105.044
tors. eta vs tors. theta energy: -132.756
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: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1960.457581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.457581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.457581 (E_RNA)
where:
Base-Base interactions energy: -1284.431
where: short stacking energy: -574.191
Base-Backbone interact. energy: -1.915
local terms energy: -674.111439
where:
bonds (distance) C4'-P energy: -162.261
bonds (distance) P-C4' energy: -144.386
flat angles C4'-P-C4' energy: -139.560
flat angles P-C4'-P energy: -87.754
tors. eta vs tors. theta energy: -140.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1450.753729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.753729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.753729 (E_RNA)
where:
Base-Base interactions energy: -878.385
where: short stacking energy: -408.957
Base-Backbone interact. energy: 3.735
local terms energy: -576.103151
where:
bonds (distance) C4'-P energy: -142.482
bonds (distance) P-C4' energy: -156.764
flat angles C4'-P-C4' energy: -123.431
flat angles P-C4'-P energy: -95.014
tors. eta vs tors. theta energy: -58.412
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: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1099.216567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.216567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.216567 (E_RNA)
where:
Base-Base interactions energy: -599.159
where: short stacking energy: -335.227
Base-Backbone interact. energy: 3.979
local terms energy: -504.036563
where:
bonds (distance) C4'-P energy: -132.282
bonds (distance) P-C4' energy: -158.761
flat angles C4'-P-C4' energy: -128.291
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -874.437955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.437955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.437955 (E_RNA)
where:
Base-Base interactions energy: -397.903
where: short stacking energy: -227.444
Base-Backbone interact. energy: -2.243
local terms energy: -474.291710
where:
bonds (distance) C4'-P energy: -139.012
bonds (distance) P-C4' energy: -142.149
flat angles C4'-P-C4' energy: -146.382
flat angles P-C4'-P energy: -66.330
tors. eta vs tors. theta energy: 19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -3094.909978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3094.909978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3094.909978 (E_RNA)
where:
Base-Base interactions energy: -2109.744
where: short stacking energy: -867.852
Base-Backbone interact. energy: -4.270
local terms energy: -980.895402
where:
bonds (distance) C4'-P energy: -193.140
bonds (distance) P-C4' energy: -188.261
flat angles C4'-P-C4' energy: -210.229
flat angles P-C4'-P energy: -139.633
tors. eta vs tors. theta energy: -249.633
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: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2999.936815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.936815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.936815 (E_RNA)
where:
Base-Base interactions energy: -2053.013
where: short stacking energy: -866.250
Base-Backbone interact. energy: -4.137
local terms energy: -942.787286
where:
bonds (distance) C4'-P energy: -168.043
bonds (distance) P-C4' energy: -165.589
flat angles C4'-P-C4' energy: -199.852
flat angles P-C4'-P energy: -134.646
tors. eta vs tors. theta energy: -274.657
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: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2791.034450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.034450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.034450 (E_RNA)
where:
Base-Base interactions energy: -1861.014
where: short stacking energy: -832.714
Base-Backbone interact. energy: -1.760
local terms energy: -928.260223
where:
bonds (distance) C4'-P energy: -181.120
bonds (distance) P-C4' energy: -164.862
flat angles C4'-P-C4' energy: -200.935
flat angles P-C4'-P energy: -125.625
tors. eta vs tors. theta energy: -255.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2670.552417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.552417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.552417 (E_RNA)
where:
Base-Base interactions energy: -1802.930
where: short stacking energy: -784.922
Base-Backbone interact. energy: 0.501
local terms energy: -868.123419
where:
bonds (distance) C4'-P energy: -169.855
bonds (distance) P-C4' energy: -159.914
flat angles C4'-P-C4' energy: -193.624
flat angles P-C4'-P energy: -114.772
tors. eta vs tors. theta energy: -229.959
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2494.527429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.527429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.527429 (E_RNA)
where:
Base-Base interactions energy: -1632.489
where: short stacking energy: -745.129
Base-Backbone interact. energy: -1.925
local terms energy: -860.113257
where:
bonds (distance) C4'-P energy: -174.153
bonds (distance) P-C4' energy: -162.768
flat angles C4'-P-C4' energy: -188.228
flat angles P-C4'-P energy: -123.057
tors. eta vs tors. theta energy: -211.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2152.853340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.853340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.853340 (E_RNA)
where:
Base-Base interactions energy: -1421.600
where: short stacking energy: -611.230
Base-Backbone interact. energy: -1.239
local terms energy: -730.014247
where:
bonds (distance) C4'-P energy: -136.121
bonds (distance) P-C4' energy: -167.434
flat angles C4'-P-C4' energy: -157.057
flat angles P-C4'-P energy: -105.140
tors. eta vs tors. theta energy: -164.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1997.564666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.564666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.564666 (E_RNA)
where:
Base-Base interactions energy: -1343.184
where: short stacking energy: -591.561
Base-Backbone interact. energy: 2.813
local terms energy: -657.193462
where:
bonds (distance) C4'-P energy: -142.980
bonds (distance) P-C4' energy: -147.559
flat angles C4'-P-C4' energy: -178.132
flat angles P-C4'-P energy: -65.278
tors. eta vs tors. theta energy: -123.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1447.944653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.944653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.944653 (E_RNA)
where:
Base-Base interactions energy: -880.005
where: short stacking energy: -452.789
Base-Backbone interact. energy: 0.316
local terms energy: -568.255481
where:
bonds (distance) C4'-P energy: -150.035
bonds (distance) P-C4' energy: -145.848
flat angles C4'-P-C4' energy: -141.049
flat angles P-C4'-P energy: -70.800
tors. eta vs tors. theta energy: -60.524
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: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1039.742261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.742261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.742261 (E_RNA)
where:
Base-Base interactions energy: -539.902
where: short stacking energy: -298.427
Base-Backbone interact. energy: -0.717
local terms energy: -499.123177
where:
bonds (distance) C4'-P energy: -143.063
bonds (distance) P-C4' energy: -160.816
flat angles C4'-P-C4' energy: -121.962
flat angles P-C4'-P energy: -51.211
tors. eta vs tors. theta energy: -22.072
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: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -855.822495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.822495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.822495 (E_RNA)
where:
Base-Base interactions energy: -356.700
where: short stacking energy: -241.663
Base-Backbone interact. energy: 7.388
local terms energy: -506.510547
where:
bonds (distance) C4'-P energy: -138.054
bonds (distance) P-C4' energy: -148.095
flat angles C4'-P-C4' energy: -124.828
flat angles P-C4'-P energy: -95.250
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -3061.164617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.164617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.164617 (E_RNA)
where:
Base-Base interactions energy: -2078.062
where: short stacking energy: -901.211
Base-Backbone interact. energy: -0.482
local terms energy: -982.620771
where:
bonds (distance) C4'-P energy: -164.469
bonds (distance) P-C4' energy: -196.964
flat angles C4'-P-C4' energy: -202.390
flat angles P-C4'-P energy: -142.503
tors. eta vs tors. theta energy: -276.294
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: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2969.185951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.185951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.185951 (E_RNA)
where:
Base-Base interactions energy: -2034.348
where: short stacking energy: -834.888
Base-Backbone interact. energy: 1.139
local terms energy: -935.977201
where:
bonds (distance) C4'-P energy: -172.206
bonds (distance) P-C4' energy: -180.126
flat angles C4'-P-C4' energy: -204.211
flat angles P-C4'-P energy: -126.511
tors. eta vs tors. theta energy: -252.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2769.651626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.651626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.651626 (E_RNA)
where:
Base-Base interactions energy: -1868.220
where: short stacking energy: -816.620
Base-Backbone interact. energy: 2.176
local terms energy: -903.607620
where:
bonds (distance) C4'-P energy: -179.679
bonds (distance) P-C4' energy: -158.253
flat angles C4'-P-C4' energy: -191.723
flat angles P-C4'-P energy: -123.642
tors. eta vs tors. theta energy: -250.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2661.541988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.541988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.541988 (E_RNA)
where:
Base-Base interactions energy: -1792.751
where: short stacking energy: -748.278
Base-Backbone interact. energy: -4.208
local terms energy: -864.582357
where:
bonds (distance) C4'-P energy: -172.484
bonds (distance) P-C4' energy: -172.664
flat angles C4'-P-C4' energy: -181.751
flat angles P-C4'-P energy: -115.844
tors. eta vs tors. theta energy: -221.840
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: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2458.698231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.698231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.698231 (E_RNA)
where:
Base-Base interactions energy: -1643.078
where: short stacking energy: -717.781
Base-Backbone interact. energy: -1.864
local terms energy: -813.755663
where:
bonds (distance) C4'-P energy: -137.474
bonds (distance) P-C4' energy: -156.576
flat angles C4'-P-C4' energy: -194.517
flat angles P-C4'-P energy: -108.414
tors. eta vs tors. theta energy: -216.774
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: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2133.874140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.874140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.874140 (E_RNA)
where:
Base-Base interactions energy: -1409.436
where: short stacking energy: -604.986
Base-Backbone interact. energy: -0.675
local terms energy: -723.763069
where:
bonds (distance) C4'-P energy: -151.982
bonds (distance) P-C4' energy: -154.840
flat angles C4'-P-C4' energy: -161.249
flat angles P-C4'-P energy: -106.299
tors. eta vs tors. theta energy: -149.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2050.263549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.263549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.263549 (E_RNA)
where:
Base-Base interactions energy: -1358.113
where: short stacking energy: -585.143
Base-Backbone interact. energy: 0.564
local terms energy: -692.713760
where:
bonds (distance) C4'-P energy: -137.793
bonds (distance) P-C4' energy: -164.641
flat angles C4'-P-C4' energy: -166.627
flat angles P-C4'-P energy: -100.895
tors. eta vs tors. theta energy: -122.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1519.971882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.971882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.971882 (E_RNA)
where:
Base-Base interactions energy: -873.156
where: short stacking energy: -405.401
Base-Backbone interact. energy: 4.133
local terms energy: -650.949173
where:
bonds (distance) C4'-P energy: -164.436
bonds (distance) P-C4' energy: -175.227
flat angles C4'-P-C4' energy: -156.407
flat angles P-C4'-P energy: -111.320
tors. eta vs tors. theta energy: -43.561
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: 318
Temperature: 1.300000
Total energy: -1071.859564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.859564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.859564 (E_RNA)
where:
Base-Base interactions energy: -549.785
where: short stacking energy: -283.028
Base-Backbone interact. energy: -0.462
local terms energy: -521.612855
where:
bonds (distance) C4'-P energy: -160.161
bonds (distance) P-C4' energy: -146.563
flat angles C4'-P-C4' energy: -107.717
flat angles P-C4'-P energy: -104.200
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -773.236828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.236828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.236828 (E_RNA)
where:
Base-Base interactions energy: -323.652
where: short stacking energy: -235.589
Base-Backbone interact. energy: 0.879
local terms energy: -450.464209
where:
bonds (distance) C4'-P energy: -117.595
bonds (distance) P-C4' energy: -147.220
flat angles C4'-P-C4' energy: -135.653
flat angles P-C4'-P energy: -75.613
tors. eta vs tors. theta energy: 25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -3060.140509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3060.140509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3060.140509 (E_RNA)
where:
Base-Base interactions energy: -2043.215
where: short stacking energy: -894.598
Base-Backbone interact. energy: -4.082
local terms energy: -1012.843186
where:
bonds (distance) C4'-P energy: -191.310
bonds (distance) P-C4' energy: -189.485
flat angles C4'-P-C4' energy: -201.124
flat angles P-C4'-P energy: -155.643
tors. eta vs tors. theta energy: -275.282
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2999.069044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.069044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.069044 (E_RNA)
where:
Base-Base interactions energy: -2076.516
where: short stacking energy: -842.835
Base-Backbone interact. energy: 2.431
local terms energy: -924.984148
where:
bonds (distance) C4'-P energy: -170.007
bonds (distance) P-C4' energy: -178.041
flat angles C4'-P-C4' energy: -202.767
flat angles P-C4'-P energy: -133.386
tors. eta vs tors. theta energy: -240.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2835.975245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.975245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.975245 (E_RNA)
where:
Base-Base interactions energy: -1885.249
where: short stacking energy: -833.958
Base-Backbone interact. energy: 0.825
local terms energy: -951.550980
where:
bonds (distance) C4'-P energy: -159.822
bonds (distance) P-C4' energy: -173.793
flat angles C4'-P-C4' energy: -209.426
flat angles P-C4'-P energy: -137.567
tors. eta vs tors. theta energy: -270.943
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: 319
Temperature: 1.050000
Total energy: -2707.039650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.039650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.039650 (E_RNA)
where:
Base-Base interactions energy: -1831.536
where: short stacking energy: -766.586
Base-Backbone interact. energy: 0.544
local terms energy: -876.048211
where:
bonds (distance) C4'-P energy: -164.384
bonds (distance) P-C4' energy: -168.527
flat angles C4'-P-C4' energy: -195.011
flat angles P-C4'-P energy: -110.375
tors. eta vs tors. theta energy: -237.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2420.219571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.219571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.219571 (E_RNA)
where:
Base-Base interactions energy: -1620.018
where: short stacking energy: -700.052
Base-Backbone interact. energy: -3.456
local terms energy: -796.745700
where:
bonds (distance) C4'-P energy: -151.249
bonds (distance) P-C4' energy: -155.303
flat angles C4'-P-C4' energy: -180.020
flat angles P-C4'-P energy: -116.834
tors. eta vs tors. theta energy: -193.340
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: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2256.348381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.348381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.348381 (E_RNA)
where:
Base-Base interactions energy: -1499.932
where: short stacking energy: -672.824
Base-Backbone interact. energy: -2.621
local terms energy: -753.795677
where:
bonds (distance) C4'-P energy: -144.335
bonds (distance) P-C4' energy: -153.160
flat angles C4'-P-C4' energy: -157.430
flat angles P-C4'-P energy: -100.863
tors. eta vs tors. theta energy: -198.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1962.650347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.650347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.650347 (E_RNA)
where:
Base-Base interactions energy: -1287.279
where: short stacking energy: -573.635
Base-Backbone interact. energy: -0.743
local terms energy: -674.628960
where:
bonds (distance) C4'-P energy: -133.235
bonds (distance) P-C4' energy: -149.692
flat angles C4'-P-C4' energy: -155.048
flat angles P-C4'-P energy: -97.273
tors. eta vs tors. theta energy: -139.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1454.073403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.073403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.073403 (E_RNA)
where:
Base-Base interactions energy: -864.086
where: short stacking energy: -411.722
Base-Backbone interact. energy: -2.630
local terms energy: -587.357402
where:
bonds (distance) C4'-P energy: -157.998
bonds (distance) P-C4' energy: -143.127
flat angles C4'-P-C4' energy: -116.557
flat angles P-C4'-P energy: -105.138
tors. eta vs tors. theta energy: -64.538
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: 319
Temperature: 1.300000
Total energy: -1081.160191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.160191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.160191 (E_RNA)
where:
Base-Base interactions energy: -565.730
where: short stacking energy: -310.748
Base-Backbone interact. energy: 7.319
local terms energy: -522.749330
where:
bonds (distance) C4'-P energy: -108.302
bonds (distance) P-C4' energy: -174.954
flat angles C4'-P-C4' energy: -139.275
flat angles P-C4'-P energy: -77.234
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -859.434788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.434788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.434788 (E_RNA)
where:
Base-Base interactions energy: -394.064
where: short stacking energy: -258.723
Base-Backbone interact. energy: 4.974
local terms energy: -470.345334
where:
bonds (distance) C4'-P energy: -143.068
bonds (distance) P-C4' energy: -142.309
flat angles C4'-P-C4' energy: -131.776
flat angles P-C4'-P energy: -55.781
tors. eta vs tors. theta energy: 2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -3053.602299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.602299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.602299 (E_RNA)
where:
Base-Base interactions energy: -2052.977
where: short stacking energy: -879.848
Base-Backbone interact. energy: -3.704
local terms energy: -996.922068
where:
bonds (distance) C4'-P energy: -180.563
bonds (distance) P-C4' energy: -190.693
flat angles C4'-P-C4' energy: -208.459
flat angles P-C4'-P energy: -139.267
tors. eta vs tors. theta energy: -277.940
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2975.948498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.948498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.948498 (E_RNA)
where:
Base-Base interactions energy: -2041.433
where: short stacking energy: -846.197
Base-Backbone interact. energy: 0.597
local terms energy: -935.112126
where:
bonds (distance) C4'-P energy: -179.604
bonds (distance) P-C4' energy: -179.964
flat angles C4'-P-C4' energy: -196.766
flat angles P-C4'-P energy: -144.588
tors. eta vs tors. theta energy: -234.189
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: 320
Temperature: 1.000000
Total energy: -2775.839334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.839334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.839334 (E_RNA)
where:
Base-Base interactions energy: -1876.561
where: short stacking energy: -821.993
Base-Backbone interact. energy: -2.122
local terms energy: -897.156024
where:
bonds (distance) C4'-P energy: -179.499
bonds (distance) P-C4' energy: -146.785
flat angles C4'-P-C4' energy: -200.434
flat angles P-C4'-P energy: -124.953
tors. eta vs tors. theta energy: -245.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2703.958560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.958560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.958560 (E_RNA)
where:
Base-Base interactions energy: -1819.290
where: short stacking energy: -759.960
Base-Backbone interact. energy: -6.032
local terms energy: -878.636227
where:
bonds (distance) C4'-P energy: -171.917
bonds (distance) P-C4' energy: -166.246
flat angles C4'-P-C4' energy: -189.736
flat angles P-C4'-P energy: -118.513
tors. eta vs tors. theta energy: -232.225
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: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2508.156740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.156740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.156740 (E_RNA)
where:
Base-Base interactions energy: -1672.726
where: short stacking energy: -720.623
Base-Backbone interact. energy: 2.196
local terms energy: -837.627160
where:
bonds (distance) C4'-P energy: -168.066
bonds (distance) P-C4' energy: -179.916
flat angles C4'-P-C4' energy: -179.239
flat angles P-C4'-P energy: -114.291
tors. eta vs tors. theta energy: -196.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2169.339562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.339562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.339562 (E_RNA)
where:
Base-Base interactions energy: -1453.777
where: short stacking energy: -637.542
Base-Backbone interact. energy: -0.145
local terms energy: -715.417558
where:
bonds (distance) C4'-P energy: -143.637
bonds (distance) P-C4' energy: -152.717
flat angles C4'-P-C4' energy: -160.993
flat angles P-C4'-P energy: -89.703
tors. eta vs tors. theta energy: -168.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1928.318173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.318173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.318173 (E_RNA)
where:
Base-Base interactions energy: -1272.940
where: short stacking energy: -560.909
Base-Backbone interact. energy: 3.352
local terms energy: -658.730341
where:
bonds (distance) C4'-P energy: -134.493
bonds (distance) P-C4' energy: -149.126
flat angles C4'-P-C4' energy: -145.433
flat angles P-C4'-P energy: -97.639
tors. eta vs tors. theta energy: -132.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1391.662935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.662935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.662935 (E_RNA)
where:
Base-Base interactions energy: -813.109
where: short stacking energy: -392.876
Base-Backbone interact. energy: 3.180
local terms energy: -581.734007
where:
bonds (distance) C4'-P energy: -167.587
bonds (distance) P-C4' energy: -153.398
flat angles C4'-P-C4' energy: -130.996
flat angles P-C4'-P energy: -92.340
tors. eta vs tors. theta energy: -37.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1050.637145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.637145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.637145 (E_RNA)
where:
Base-Base interactions energy: -525.002
where: short stacking energy: -280.863
Base-Backbone interact. energy: 0.661
local terms energy: -526.296130
where:
bonds (distance) C4'-P energy: -159.833
bonds (distance) P-C4' energy: -149.807
flat angles C4'-P-C4' energy: -122.827
flat angles P-C4'-P energy: -90.731
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -821.190342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.190342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.190342 (E_RNA)
where:
Base-Base interactions energy: -341.187
where: short stacking energy: -203.276
Base-Backbone interact. energy: 2.857
local terms energy: -482.861130
where:
bonds (distance) C4'-P energy: -141.418
bonds (distance) P-C4' energy: -156.504
flat angles C4'-P-C4' energy: -118.004
flat angles P-C4'-P energy: -69.254
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -3067.704263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3067.704263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3067.704263 (E_RNA)
where:
Base-Base interactions energy: -2098.501
where: short stacking energy: -877.664
Base-Backbone interact. energy: -2.692
local terms energy: -966.510913
where:
bonds (distance) C4'-P energy: -178.091
bonds (distance) P-C4' energy: -176.473
flat angles C4'-P-C4' energy: -198.831
flat angles P-C4'-P energy: -141.042
tors. eta vs tors. theta energy: -272.074
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: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2981.902543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.902543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.902543 (E_RNA)
where:
Base-Base interactions energy: -2048.403
where: short stacking energy: -842.109
Base-Backbone interact. energy: -5.241
local terms energy: -928.258408
where:
bonds (distance) C4'-P energy: -173.940
bonds (distance) P-C4' energy: -185.779
flat angles C4'-P-C4' energy: -193.839
flat angles P-C4'-P energy: -132.955
tors. eta vs tors. theta energy: -241.746
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2782.232460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.232460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.232460 (E_RNA)
where:
Base-Base interactions energy: -1873.602
where: short stacking energy: -818.000
Base-Backbone interact. energy: -1.226
local terms energy: -907.404936
where:
bonds (distance) C4'-P energy: -155.962
bonds (distance) P-C4' energy: -178.820
flat angles C4'-P-C4' energy: -190.925
flat angles P-C4'-P energy: -130.478
tors. eta vs tors. theta energy: -251.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2691.963517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.963517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.963517 (E_RNA)
where:
Base-Base interactions energy: -1828.827
where: short stacking energy: -750.503
Base-Backbone interact. energy: 4.965
local terms energy: -868.101374
where:
bonds (distance) C4'-P energy: -165.764
bonds (distance) P-C4' energy: -167.028
flat angles C4'-P-C4' energy: -200.916
flat angles P-C4'-P energy: -116.328
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: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2484.541361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.541361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.541361 (E_RNA)
where:
Base-Base interactions energy: -1647.562
where: short stacking energy: -699.127
Base-Backbone interact. energy: -0.313
local terms energy: -836.666045
where:
bonds (distance) C4'-P energy: -162.385
bonds (distance) P-C4' energy: -156.120
flat angles C4'-P-C4' energy: -189.274
flat angles P-C4'-P energy: -128.509
tors. eta vs tors. theta energy: -200.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2205.783882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.783882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.783882 (E_RNA)
where:
Base-Base interactions energy: -1468.825
where: short stacking energy: -640.052
Base-Backbone interact. energy: -2.246
local terms energy: -734.712846
where:
bonds (distance) C4'-P energy: -148.977
bonds (distance) P-C4' energy: -172.263
flat angles C4'-P-C4' energy: -158.427
flat angles P-C4'-P energy: -110.406
tors. eta vs tors. theta energy: -144.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1848.127904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.127904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.127904 (E_RNA)
where:
Base-Base interactions energy: -1160.414
where: short stacking energy: -486.941
Base-Backbone interact. energy: -5.230
local terms energy: -682.484133
where:
bonds (distance) C4'-P energy: -152.288
bonds (distance) P-C4' energy: -168.758
flat angles C4'-P-C4' energy: -158.131
flat angles P-C4'-P energy: -106.399
tors. eta vs tors. theta energy: -96.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1449.378311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.378311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.378311 (E_RNA)
where:
Base-Base interactions energy: -844.231
where: short stacking energy: -400.305
Base-Backbone interact. energy: 5.641
local terms energy: -610.788516
where:
bonds (distance) C4'-P energy: -162.686
bonds (distance) P-C4' energy: -151.539
flat angles C4'-P-C4' energy: -147.579
flat angles P-C4'-P energy: -95.793
tors. eta vs tors. theta energy: -53.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -978.484125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.484125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.484125 (E_RNA)
where:
Base-Base interactions energy: -463.084
where: short stacking energy: -280.469
Base-Backbone interact. energy: 0.338
local terms energy: -515.738222
where:
bonds (distance) C4'-P energy: -122.358
bonds (distance) P-C4' energy: -156.964
flat angles C4'-P-C4' energy: -138.165
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -841.049799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.049799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.049799 (E_RNA)
where:
Base-Base interactions energy: -398.570
where: short stacking energy: -234.194
Base-Backbone interact. energy: 2.414
local terms energy: -444.893196
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -133.019
flat angles C4'-P-C4' energy: -143.709
flat angles P-C4'-P energy: -75.576
tors. eta vs tors. theta energy: 29.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -3031.241672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3031.241672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3031.241672 (E_RNA)
where:
Base-Base interactions energy: -2078.434
where: short stacking energy: -873.225
Base-Backbone interact. energy: -2.045
local terms energy: -950.762401
where:
bonds (distance) C4'-P energy: -186.830
bonds (distance) P-C4' energy: -179.566
flat angles C4'-P-C4' energy: -199.507
flat angles P-C4'-P energy: -123.448
tors. eta vs tors. theta energy: -261.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2970.736167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.736167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.736167 (E_RNA)
where:
Base-Base interactions energy: -2062.199
where: short stacking energy: -848.995
Base-Backbone interact. energy: -5.647
local terms energy: -902.889762
where:
bonds (distance) C4'-P energy: -169.169
bonds (distance) P-C4' energy: -160.811
flat angles C4'-P-C4' energy: -197.092
flat angles P-C4'-P energy: -123.830
tors. eta vs tors. theta energy: -251.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2784.818995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.818995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.818995 (E_RNA)
where:
Base-Base interactions energy: -1924.653
where: short stacking energy: -840.583
Base-Backbone interact. energy: -3.583
local terms energy: -856.582480
where:
bonds (distance) C4'-P energy: -141.741
bonds (distance) P-C4' energy: -169.586
flat angles C4'-P-C4' energy: -182.575
flat angles P-C4'-P energy: -116.139
tors. eta vs tors. theta energy: -246.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2691.023233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.023233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.023233 (E_RNA)
where:
Base-Base interactions energy: -1854.845
where: short stacking energy: -754.728
Base-Backbone interact. energy: -2.971
local terms energy: -833.206703
where:
bonds (distance) C4'-P energy: -147.621
bonds (distance) P-C4' energy: -165.408
flat angles C4'-P-C4' energy: -186.778
flat angles P-C4'-P energy: -111.510
tors. eta vs tors. theta energy: -221.890
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: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2468.409883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.409883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.409883 (E_RNA)
where:
Base-Base interactions energy: -1689.746
where: short stacking energy: -723.721
Base-Backbone interact. energy: -1.555
local terms energy: -777.108789
where:
bonds (distance) C4'-P energy: -142.299
bonds (distance) P-C4' energy: -164.639
flat angles C4'-P-C4' energy: -165.724
flat angles P-C4'-P energy: -105.704
tors. eta vs tors. theta energy: -198.743
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: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2245.868321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.868321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.868321 (E_RNA)
where:
Base-Base interactions energy: -1499.135
where: short stacking energy: -616.767
Base-Backbone interact. energy: -1.501
local terms energy: -745.231422
where:
bonds (distance) C4'-P energy: -152.963
bonds (distance) P-C4' energy: -159.161
flat angles C4'-P-C4' energy: -159.058
flat angles P-C4'-P energy: -99.283
tors. eta vs tors. theta energy: -174.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1936.936930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.936930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.936930 (E_RNA)
where:
Base-Base interactions energy: -1261.983
where: short stacking energy: -556.574
Base-Backbone interact. energy: 1.516
local terms energy: -676.469360
where:
bonds (distance) C4'-P energy: -145.780
bonds (distance) P-C4' energy: -142.486
flat angles C4'-P-C4' energy: -176.696
flat angles P-C4'-P energy: -92.744
tors. eta vs tors. theta energy: -118.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1470.829432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.829432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.829432 (E_RNA)
where:
Base-Base interactions energy: -854.291
where: short stacking energy: -428.447
Base-Backbone interact. energy: -2.391
local terms energy: -614.147156
where:
bonds (distance) C4'-P energy: -151.314
bonds (distance) P-C4' energy: -166.925
flat angles C4'-P-C4' energy: -157.952
flat angles P-C4'-P energy: -85.249
tors. eta vs tors. theta energy: -52.707
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: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -981.225567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.225567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.225567 (E_RNA)
where:
Base-Base interactions energy: -461.602
where: short stacking energy: -271.857
Base-Backbone interact. energy: -0.718
local terms energy: -518.905885
where:
bonds (distance) C4'-P energy: -161.814
bonds (distance) P-C4' energy: -161.203
flat angles C4'-P-C4' energy: -130.769
flat angles P-C4'-P energy: -71.101
tors. eta vs tors. theta energy: 5.981
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: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -885.692555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.692555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.692555 (E_RNA)
where:
Base-Base interactions energy: -410.730
where: short stacking energy: -233.045
Base-Backbone interact. energy: 1.367
local terms energy: -476.329108
where:
bonds (distance) C4'-P energy: -135.146
bonds (distance) P-C4' energy: -138.204
flat angles C4'-P-C4' energy: -129.235
flat angles P-C4'-P energy: -81.219
tors. eta vs tors. theta energy: 7.475
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: 323
Temperature: 0.900000
Total energy: -3058.501805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3058.501805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3058.501805 (E_RNA)
where:
Base-Base interactions energy: -2064.212
where: short stacking energy: -893.722
Base-Backbone interact. energy: -1.882
local terms energy: -992.407841
where:
bonds (distance) C4'-P energy: -176.134
bonds (distance) P-C4' energy: -194.756
flat angles C4'-P-C4' energy: -205.708
flat angles P-C4'-P energy: -137.370
tors. eta vs tors. theta energy: -278.440
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2984.131381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.131381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.131381 (E_RNA)
where:
Base-Base interactions energy: -2042.291
where: short stacking energy: -870.836
Base-Backbone interact. energy: -2.431
local terms energy: -939.409710
where:
bonds (distance) C4'-P energy: -177.706
bonds (distance) P-C4' energy: -185.241
flat angles C4'-P-C4' energy: -194.146
flat angles P-C4'-P energy: -133.555
tors. eta vs tors. theta energy: -248.761
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: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2843.464726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.464726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.464726 (E_RNA)
where:
Base-Base interactions energy: -1904.572
where: short stacking energy: -849.094
Base-Backbone interact. energy: -2.191
local terms energy: -936.702032
where:
bonds (distance) C4'-P energy: -182.281
bonds (distance) P-C4' energy: -164.445
flat angles C4'-P-C4' energy: -209.356
flat angles P-C4'-P energy: -117.368
tors. eta vs tors. theta energy: -263.252
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: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2702.685642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.685642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.685642 (E_RNA)
where:
Base-Base interactions energy: -1861.516
where: short stacking energy: -756.935
Base-Backbone interact. energy: -3.198
local terms energy: -837.971605
where:
bonds (distance) C4'-P energy: -161.473
bonds (distance) P-C4' energy: -164.555
flat angles C4'-P-C4' energy: -181.456
flat angles P-C4'-P energy: -106.527
tors. eta vs tors. theta energy: -223.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2449.376264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.376264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.376264 (E_RNA)
where:
Base-Base interactions energy: -1666.777
where: short stacking energy: -722.028
Base-Backbone interact. energy: 1.162
local terms energy: -783.761218
where:
bonds (distance) C4'-P energy: -145.122
bonds (distance) P-C4' energy: -162.370
flat angles C4'-P-C4' energy: -165.380
flat angles P-C4'-P energy: -114.465
tors. eta vs tors. theta energy: -196.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2255.358551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.358551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.358551 (E_RNA)
where:
Base-Base interactions energy: -1490.636
where: short stacking energy: -637.864
Base-Backbone interact. energy: -2.600
local terms energy: -762.121709
where:
bonds (distance) C4'-P energy: -145.752
bonds (distance) P-C4' energy: -144.060
flat angles C4'-P-C4' energy: -177.088
flat angles P-C4'-P energy: -118.304
tors. eta vs tors. theta energy: -176.918
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: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1910.421015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.421015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.421015 (E_RNA)
where:
Base-Base interactions energy: -1207.993
where: short stacking energy: -542.811
Base-Backbone interact. energy: -2.466
local terms energy: -699.961650
where:
bonds (distance) C4'-P energy: -156.085
bonds (distance) P-C4' energy: -164.457
flat angles C4'-P-C4' energy: -176.371
flat angles P-C4'-P energy: -83.720
tors. eta vs tors. theta energy: -119.327
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: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1408.542902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.542902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.542902 (E_RNA)
where:
Base-Base interactions energy: -825.734
where: short stacking energy: -429.082
Base-Backbone interact. energy: 11.733
local terms energy: -594.541889
where:
bonds (distance) C4'-P energy: -145.432
bonds (distance) P-C4' energy: -154.505
flat angles C4'-P-C4' energy: -157.296
flat angles P-C4'-P energy: -82.694
tors. eta vs tors. theta energy: -54.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1030.807198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.807198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.807198 (E_RNA)
where:
Base-Base interactions energy: -486.827
where: short stacking energy: -264.567
Base-Backbone interact. energy: -0.555
local terms energy: -543.424849
where:
bonds (distance) C4'-P energy: -160.647
bonds (distance) P-C4' energy: -137.747
flat angles C4'-P-C4' energy: -142.689
flat angles P-C4'-P energy: -98.258
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -878.910981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.910981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.910981 (E_RNA)
where:
Base-Base interactions energy: -382.220
where: short stacking energy: -212.485
Base-Backbone interact. energy: 7.512
local terms energy: -504.202843
where:
bonds (distance) C4'-P energy: -156.385
bonds (distance) P-C4' energy: -169.204
flat angles C4'-P-C4' energy: -155.874
flat angles P-C4'-P energy: -66.626
tors. eta vs tors. theta energy: 43.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -3070.789207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3070.789207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3070.789207 (E_RNA)
where:
Base-Base interactions energy: -2106.868
where: short stacking energy: -907.151
Base-Backbone interact. energy: 0.668
local terms energy: -964.590044
where:
bonds (distance) C4'-P energy: -190.357
bonds (distance) P-C4' energy: -167.523
flat angles C4'-P-C4' energy: -202.391
flat angles P-C4'-P energy: -136.714
tors. eta vs tors. theta energy: -267.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2965.232013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.232013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.232013 (E_RNA)
where:
Base-Base interactions energy: -2024.643
where: short stacking energy: -862.092
Base-Backbone interact. energy: -0.482
local terms energy: -940.107467
where:
bonds (distance) C4'-P energy: -168.304
bonds (distance) P-C4' energy: -186.541
flat angles C4'-P-C4' energy: -193.264
flat angles P-C4'-P energy: -136.898
tors. eta vs tors. theta energy: -255.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2838.445411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.445411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.445411 (E_RNA)
where:
Base-Base interactions energy: -1911.915
where: short stacking energy: -834.223
Base-Backbone interact. energy: -2.883
local terms energy: -923.648124
where:
bonds (distance) C4'-P energy: -173.418
bonds (distance) P-C4' energy: -170.439
flat angles C4'-P-C4' energy: -197.451
flat angles P-C4'-P energy: -139.195
tors. eta vs tors. theta energy: -243.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2675.975182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.975182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.975182 (E_RNA)
where:
Base-Base interactions energy: -1818.611
where: short stacking energy: -748.761
Base-Backbone interact. energy: 2.826
local terms energy: -860.190574
where:
bonds (distance) C4'-P energy: -176.768
bonds (distance) P-C4' energy: -174.169
flat angles C4'-P-C4' energy: -168.786
flat angles P-C4'-P energy: -120.340
tors. eta vs tors. theta energy: -220.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2445.283939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.283939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.283939 (E_RNA)
where:
Base-Base interactions energy: -1612.299
where: short stacking energy: -738.304
Base-Backbone interact. energy: -1.829
local terms energy: -831.156010
where:
bonds (distance) C4'-P energy: -162.371
bonds (distance) P-C4' energy: -165.917
flat angles C4'-P-C4' energy: -184.817
flat angles P-C4'-P energy: -117.327
tors. eta vs tors. theta energy: -200.724
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: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2259.347121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.347121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.347121 (E_RNA)
where:
Base-Base interactions energy: -1495.526
where: short stacking energy: -618.930
Base-Backbone interact. energy: 0.982
local terms energy: -764.803500
where:
bonds (distance) C4'-P energy: -145.011
bonds (distance) P-C4' energy: -160.729
flat angles C4'-P-C4' energy: -183.903
flat angles P-C4'-P energy: -107.704
tors. eta vs tors. theta energy: -167.456
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: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1930.301208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.301208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.301208 (E_RNA)
where:
Base-Base interactions energy: -1220.262
where: short stacking energy: -537.514
Base-Backbone interact. energy: -3.341
local terms energy: -706.697796
where:
bonds (distance) C4'-P energy: -155.378
bonds (distance) P-C4' energy: -139.466
flat angles C4'-P-C4' energy: -178.368
flat angles P-C4'-P energy: -110.048
tors. eta vs tors. theta energy: -123.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1485.255565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.255565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.255565 (E_RNA)
where:
Base-Base interactions energy: -861.054
where: short stacking energy: -415.618
Base-Backbone interact. energy: -2.891
local terms energy: -621.311296
where:
bonds (distance) C4'-P energy: -163.045
bonds (distance) P-C4' energy: -151.543
flat angles C4'-P-C4' energy: -169.209
flat angles P-C4'-P energy: -73.429
tors. eta vs tors. theta energy: -64.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1062.074900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.074900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.074900 (E_RNA)
where:
Base-Base interactions energy: -560.442
where: short stacking energy: -307.515
Base-Backbone interact. energy: -0.413
local terms energy: -501.220709
where:
bonds (distance) C4'-P energy: -138.966
bonds (distance) P-C4' energy: -133.715
flat angles C4'-P-C4' energy: -128.236
flat angles P-C4'-P energy: -89.821
tors. eta vs tors. theta energy: -10.483
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: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -850.836761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.836761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.836761 (E_RNA)
where:
Base-Base interactions energy: -393.690
where: short stacking energy: -201.596
Base-Backbone interact. energy: 1.949
local terms energy: -459.095098
where:
bonds (distance) C4'-P energy: -140.944
bonds (distance) P-C4' energy: -149.092
flat angles C4'-P-C4' energy: -130.180
flat angles P-C4'-P energy: -77.918
tors. eta vs tors. theta energy: 39.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -3071.727124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3071.727124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3071.727124 (E_RNA)
where:
Base-Base interactions energy: -2072.066
where: short stacking energy: -919.454
Base-Backbone interact. energy: -4.517
local terms energy: -995.143941
where:
bonds (distance) C4'-P energy: -181.542
bonds (distance) P-C4' energy: -186.185
flat angles C4'-P-C4' energy: -214.359
flat angles P-C4'-P energy: -135.045
tors. eta vs tors. theta energy: -278.014
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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2989.868528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.868528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.868528 (E_RNA)
where:
Base-Base interactions energy: -2089.310
where: short stacking energy: -868.352
Base-Backbone interact. energy: -0.095
local terms energy: -900.463544
where:
bonds (distance) C4'-P energy: -161.509
bonds (distance) P-C4' energy: -174.755
flat angles C4'-P-C4' energy: -204.245
flat angles P-C4'-P energy: -114.993
tors. eta vs tors. theta energy: -244.960
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: 325
Temperature: 1.000000
Total energy: -2798.404371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.404371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.404371 (E_RNA)
where:
Base-Base interactions energy: -1894.258
where: short stacking energy: -829.904
Base-Backbone interact. energy: 2.695
local terms energy: -906.841891
where:
bonds (distance) C4'-P energy: -162.261
bonds (distance) P-C4' energy: -173.133
flat angles C4'-P-C4' energy: -193.990
flat angles P-C4'-P energy: -122.357
tors. eta vs tors. theta energy: -255.101
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2582.500159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.500159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.500159 (E_RNA)
where:
Base-Base interactions energy: -1752.977
where: short stacking energy: -745.745
Base-Backbone interact. energy: -1.013
local terms energy: -828.509500
where:
bonds (distance) C4'-P energy: -152.743
bonds (distance) P-C4' energy: -168.476
flat angles C4'-P-C4' energy: -179.218
flat angles P-C4'-P energy: -125.074
tors. eta vs tors. theta energy: -202.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2422.255496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.255496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.255496 (E_RNA)
where:
Base-Base interactions energy: -1619.427
where: short stacking energy: -680.003
Base-Backbone interact. energy: -3.130
local terms energy: -799.697561
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -179.119
flat angles C4'-P-C4' energy: -185.773
flat angles P-C4'-P energy: -99.431
tors. eta vs tors. theta energy: -192.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2203.826927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.826927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.826927 (E_RNA)
where:
Base-Base interactions energy: -1444.703
where: short stacking energy: -632.440
Base-Backbone interact. energy: -0.434
local terms energy: -758.689538
where:
bonds (distance) C4'-P energy: -143.285
bonds (distance) P-C4' energy: -150.191
flat angles C4'-P-C4' energy: -174.384
flat angles P-C4'-P energy: -120.516
tors. eta vs tors. theta energy: -170.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1958.231006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.231006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.231006 (E_RNA)
where:
Base-Base interactions energy: -1254.968
where: short stacking energy: -571.627
Base-Backbone interact. energy: 0.123
local terms energy: -703.385773
where:
bonds (distance) C4'-P energy: -129.582
bonds (distance) P-C4' energy: -166.966
flat angles C4'-P-C4' energy: -160.790
flat angles P-C4'-P energy: -112.833
tors. eta vs tors. theta energy: -133.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1470.767266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.767266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.767266 (E_RNA)
where:
Base-Base interactions energy: -904.000
where: short stacking energy: -436.145
Base-Backbone interact. energy: -2.284
local terms energy: -564.483174
where:
bonds (distance) C4'-P energy: -163.656
bonds (distance) P-C4' energy: -142.316
flat angles C4'-P-C4' energy: -115.927
flat angles P-C4'-P energy: -70.737
tors. eta vs tors. theta energy: -71.847
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: 325
Temperature: 1.300000
Total energy: -1036.252185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.252185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.252185 (E_RNA)
where:
Base-Base interactions energy: -485.592
where: short stacking energy: -280.798
Base-Backbone interact. energy: 3.897
local terms energy: -554.556941
where:
bonds (distance) C4'-P energy: -144.280
bonds (distance) P-C4' energy: -155.449
flat angles C4'-P-C4' energy: -154.720
flat angles P-C4'-P energy: -89.739
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -791.356760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.356760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.356760 (E_RNA)
where:
Base-Base interactions energy: -346.470
where: short stacking energy: -202.461
Base-Backbone interact. energy: 1.638
local terms energy: -446.524140
where:
bonds (distance) C4'-P energy: -142.653
bonds (distance) P-C4' energy: -172.614
flat angles C4'-P-C4' energy: -111.838
flat angles P-C4'-P energy: -58.927
tors. eta vs tors. theta energy: 39.508
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: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -3074.894960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.894960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.894960 (E_RNA)
where:
Base-Base interactions energy: -2075.903
where: short stacking energy: -877.765
Base-Backbone interact. energy: -4.727
local terms energy: -994.264960
where:
bonds (distance) C4'-P energy: -193.168
bonds (distance) P-C4' energy: -181.895
flat angles C4'-P-C4' energy: -207.126
flat angles P-C4'-P energy: -142.661
tors. eta vs tors. theta energy: -269.414
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: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2966.778554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2966.778554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.778554 (E_RNA)
where:
Base-Base interactions energy: -2037.430
where: short stacking energy: -842.816
Base-Backbone interact. energy: 5.298
local terms energy: -934.647009
where:
bonds (distance) C4'-P energy: -182.082
bonds (distance) P-C4' energy: -189.134
flat angles C4'-P-C4' energy: -189.698
flat angles P-C4'-P energy: -140.019
tors. eta vs tors. theta energy: -233.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2772.972514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.972514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.972514 (E_RNA)
where:
Base-Base interactions energy: -1865.231
where: short stacking energy: -814.214
Base-Backbone interact. energy: -1.577
local terms energy: -906.164818
where:
bonds (distance) C4'-P energy: -176.679
bonds (distance) P-C4' energy: -145.427
flat angles C4'-P-C4' energy: -189.939
flat angles P-C4'-P energy: -144.111
tors. eta vs tors. theta energy: -250.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2615.192029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.192029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.192029 (E_RNA)
where:
Base-Base interactions energy: -1787.668
where: short stacking energy: -740.194
Base-Backbone interact. energy: -2.471
local terms energy: -825.052607
where:
bonds (distance) C4'-P energy: -160.767
bonds (distance) P-C4' energy: -161.855
flat angles C4'-P-C4' energy: -162.590
flat angles P-C4'-P energy: -133.322
tors. eta vs tors. theta energy: -206.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2418.231416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.231416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.231416 (E_RNA)
where:
Base-Base interactions energy: -1602.215
where: short stacking energy: -711.610
Base-Backbone interact. energy: -3.698
local terms energy: -812.318415
where:
bonds (distance) C4'-P energy: -168.164
bonds (distance) P-C4' energy: -162.249
flat angles C4'-P-C4' energy: -187.761
flat angles P-C4'-P energy: -108.314
tors. eta vs tors. theta energy: -185.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2172.307927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.307927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.307927 (E_RNA)
where:
Base-Base interactions energy: -1438.595
where: short stacking energy: -669.939
Base-Backbone interact. energy: -2.504
local terms energy: -731.208436
where:
bonds (distance) C4'-P energy: -125.150
bonds (distance) P-C4' energy: -151.028
flat angles C4'-P-C4' energy: -177.106
flat angles P-C4'-P energy: -108.280
tors. eta vs tors. theta energy: -169.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1954.740871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.740871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.740871 (E_RNA)
where:
Base-Base interactions energy: -1261.847
where: short stacking energy: -558.002
Base-Backbone interact. energy: -6.025
local terms energy: -686.868798
where:
bonds (distance) C4'-P energy: -142.312
bonds (distance) P-C4' energy: -157.297
flat angles C4'-P-C4' energy: -157.868
flat angles P-C4'-P energy: -101.828
tors. eta vs tors. theta energy: -127.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1497.044005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.044005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.044005 (E_RNA)
where:
Base-Base interactions energy: -908.614
where: short stacking energy: -403.389
Base-Backbone interact. energy: 0.125
local terms energy: -588.555104
where:
bonds (distance) C4'-P energy: -157.282
bonds (distance) P-C4' energy: -137.539
flat angles C4'-P-C4' energy: -138.726
flat angles P-C4'-P energy: -97.097
tors. eta vs tors. theta energy: -57.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1100.107836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.107836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.107836 (E_RNA)
where:
Base-Base interactions energy: -570.803
where: short stacking energy: -316.951
Base-Backbone interact. energy: 3.377
local terms energy: -532.681775
where:
bonds (distance) C4'-P energy: -150.998
bonds (distance) P-C4' energy: -178.879
flat angles C4'-P-C4' energy: -121.916
flat angles P-C4'-P energy: -77.517
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -849.753692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.753692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.753692 (E_RNA)
where:
Base-Base interactions energy: -370.124
where: short stacking energy: -221.098
Base-Backbone interact. energy: 3.436
local terms energy: -483.065933
where:
bonds (distance) C4'-P energy: -158.297
bonds (distance) P-C4' energy: -149.809
flat angles C4'-P-C4' energy: -133.913
flat angles P-C4'-P energy: -80.109
tors. eta vs tors. theta energy: 39.063
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: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -3106.505375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3106.505375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3106.505375 (E_RNA)
where:
Base-Base interactions energy: -2137.066
where: short stacking energy: -906.150
Base-Backbone interact. energy: -4.040
local terms energy: -965.398984
where:
bonds (distance) C4'-P energy: -168.598
bonds (distance) P-C4' energy: -174.045
flat angles C4'-P-C4' energy: -209.729
flat angles P-C4'-P energy: -141.328
tors. eta vs tors. theta energy: -271.700
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2970.887135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.887135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.887135 (E_RNA)
where:
Base-Base interactions energy: -2014.632
where: short stacking energy: -861.747
Base-Backbone interact. energy: 2.967
local terms energy: -959.222596
where:
bonds (distance) C4'-P energy: -190.067
bonds (distance) P-C4' energy: -181.903
flat angles C4'-P-C4' energy: -189.848
flat angles P-C4'-P energy: -140.002
tors. eta vs tors. theta energy: -257.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2766.038103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.038103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.038103 (E_RNA)
where:
Base-Base interactions energy: -1841.772
where: short stacking energy: -844.146
Base-Backbone interact. energy: -2.946
local terms energy: -921.320330
where:
bonds (distance) C4'-P energy: -162.686
bonds (distance) P-C4' energy: -157.652
flat angles C4'-P-C4' energy: -206.275
flat angles P-C4'-P energy: -127.035
tors. eta vs tors. theta energy: -267.673
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: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2669.693629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.693629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.693629 (E_RNA)
where:
Base-Base interactions energy: -1855.768
where: short stacking energy: -787.919
Base-Backbone interact. energy: 5.814
local terms energy: -819.740409
where:
bonds (distance) C4'-P energy: -160.073
bonds (distance) P-C4' energy: -144.355
flat angles C4'-P-C4' energy: -191.488
flat angles P-C4'-P energy: -111.502
tors. eta vs tors. theta energy: -212.323
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: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2353.825276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.825276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.825276 (E_RNA)
where:
Base-Base interactions energy: -1587.066
where: short stacking energy: -696.844
Base-Backbone interact. energy: -2.093
local terms energy: -764.666450
where:
bonds (distance) C4'-P energy: -135.863
bonds (distance) P-C4' energy: -173.933
flat angles C4'-P-C4' energy: -173.666
flat angles P-C4'-P energy: -96.128
tors. eta vs tors. theta energy: -185.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2228.389839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.389839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.389839 (E_RNA)
where:
Base-Base interactions energy: -1459.752
where: short stacking energy: -645.792
Base-Backbone interact. energy: 1.634
local terms energy: -770.271625
where:
bonds (distance) C4'-P energy: -163.415
bonds (distance) P-C4' energy: -130.417
flat angles C4'-P-C4' energy: -156.623
flat angles P-C4'-P energy: -129.900
tors. eta vs tors. theta energy: -189.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1983.870110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.870110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.870110 (E_RNA)
where:
Base-Base interactions energy: -1268.118
where: short stacking energy: -544.076
Base-Backbone interact. energy: 0.669
local terms energy: -716.420964
where:
bonds (distance) C4'-P energy: -146.005
bonds (distance) P-C4' energy: -167.087
flat angles C4'-P-C4' energy: -180.881
flat angles P-C4'-P energy: -109.044
tors. eta vs tors. theta energy: -113.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1558.134252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.134252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.134252 (E_RNA)
where:
Base-Base interactions energy: -941.639
where: short stacking energy: -413.866
Base-Backbone interact. energy: -2.897
local terms energy: -613.598081
where:
bonds (distance) C4'-P energy: -153.231
bonds (distance) P-C4' energy: -159.468
flat angles C4'-P-C4' energy: -144.438
flat angles P-C4'-P energy: -77.125
tors. eta vs tors. theta energy: -79.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1068.518959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.518959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.518959 (E_RNA)
where:
Base-Base interactions energy: -567.332
where: short stacking energy: -303.022
Base-Backbone interact. energy: 5.399
local terms energy: -506.586283
where:
bonds (distance) C4'-P energy: -123.514
bonds (distance) P-C4' energy: -150.202
flat angles C4'-P-C4' energy: -123.624
flat angles P-C4'-P energy: -93.233
tors. eta vs tors. theta energy: -16.014
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: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -839.452483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.452483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.452483 (E_RNA)
where:
Base-Base interactions energy: -390.607
where: short stacking energy: -219.494
Base-Backbone interact. energy: 4.060
local terms energy: -452.905203
where:
bonds (distance) C4'-P energy: -146.651
bonds (distance) P-C4' energy: -158.017
flat angles C4'-P-C4' energy: -113.767
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: 24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -3061.592734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.592734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.592734 (E_RNA)
where:
Base-Base interactions energy: -2092.934
where: short stacking energy: -894.453
Base-Backbone interact. energy: 0.217
local terms energy: -968.875889
where:
bonds (distance) C4'-P energy: -186.070
bonds (distance) P-C4' energy: -187.687
flat angles C4'-P-C4' energy: -200.980
flat angles P-C4'-P energy: -130.393
tors. eta vs tors. theta energy: -263.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2978.095822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.095822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.095822 (E_RNA)
where:
Base-Base interactions energy: -2040.358
where: short stacking energy: -863.733
Base-Backbone interact. energy: -2.301
local terms energy: -935.436805
where:
bonds (distance) C4'-P energy: -180.790
bonds (distance) P-C4' energy: -183.112
flat angles C4'-P-C4' energy: -203.782
flat angles P-C4'-P energy: -119.340
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: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2802.552130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.552130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.552130 (E_RNA)
where:
Base-Base interactions energy: -1861.230
where: short stacking energy: -841.521
Base-Backbone interact. energy: -1.902
local terms energy: -939.420115
where:
bonds (distance) C4'-P energy: -168.976
bonds (distance) P-C4' energy: -177.940
flat angles C4'-P-C4' energy: -189.483
flat angles P-C4'-P energy: -138.470
tors. eta vs tors. theta energy: -264.551
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: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2681.508780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.508780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.508780 (E_RNA)
where:
Base-Base interactions energy: -1840.968
where: short stacking energy: -776.129
Base-Backbone interact. energy: 1.928
local terms energy: -842.468564
where:
bonds (distance) C4'-P energy: -158.104
bonds (distance) P-C4' energy: -161.341
flat angles C4'-P-C4' energy: -193.973
flat angles P-C4'-P energy: -111.725
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: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2362.397079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.397079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.397079 (E_RNA)
where:
Base-Base interactions energy: -1554.819
where: short stacking energy: -668.613
Base-Backbone interact. energy: -4.982
local terms energy: -802.595877
where:
bonds (distance) C4'-P energy: -163.095
bonds (distance) P-C4' energy: -175.085
flat angles C4'-P-C4' energy: -173.874
flat angles P-C4'-P energy: -114.543
tors. eta vs tors. theta energy: -175.998
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: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2317.807934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.807934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.807934 (E_RNA)
where:
Base-Base interactions energy: -1540.801
where: short stacking energy: -669.175
Base-Backbone interact. energy: 2.621
local terms energy: -779.627939
where:
bonds (distance) C4'-P energy: -157.401
bonds (distance) P-C4' energy: -179.482
flat angles C4'-P-C4' energy: -151.116
flat angles P-C4'-P energy: -127.965
tors. eta vs tors. theta energy: -163.664
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2033.609695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.609695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.609695 (E_RNA)
where:
Base-Base interactions energy: -1345.778
where: short stacking energy: -581.751
Base-Backbone interact. energy: 0.065
local terms energy: -687.896322
where:
bonds (distance) C4'-P energy: -145.277
bonds (distance) P-C4' energy: -159.223
flat angles C4'-P-C4' energy: -167.764
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -139.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1491.431699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.431699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.431699 (E_RNA)
where:
Base-Base interactions energy: -917.856
where: short stacking energy: -428.309
Base-Backbone interact. energy: 2.510
local terms energy: -576.085877
where:
bonds (distance) C4'-P energy: -136.198
bonds (distance) P-C4' energy: -152.631
flat angles C4'-P-C4' energy: -145.871
flat angles P-C4'-P energy: -82.651
tors. eta vs tors. theta energy: -58.734
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: 328
Temperature: 1.300000
Total energy: -1091.362151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.362151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.362151 (E_RNA)
where:
Base-Base interactions energy: -575.712
where: short stacking energy: -300.984
Base-Backbone interact. energy: 12.896
local terms energy: -528.546747
where:
bonds (distance) C4'-P energy: -158.035
bonds (distance) P-C4' energy: -139.616
flat angles C4'-P-C4' energy: -135.340
flat angles P-C4'-P energy: -91.529
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -848.808454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.808454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.808454 (E_RNA)
where:
Base-Base interactions energy: -391.845
where: short stacking energy: -215.788
Base-Backbone interact. energy: -1.279
local terms energy: -455.684392
where:
bonds (distance) C4'-P energy: -132.782
bonds (distance) P-C4' energy: -137.762
flat angles C4'-P-C4' energy: -120.913
flat angles P-C4'-P energy: -74.294
tors. eta vs tors. theta energy: 10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -3044.674376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.674376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.674376 (E_RNA)
where:
Base-Base interactions energy: -2059.831
where: short stacking energy: -887.236
Base-Backbone interact. energy: -4.831
local terms energy: -980.012275
where:
bonds (distance) C4'-P energy: -184.250
bonds (distance) P-C4' energy: -188.712
flat angles C4'-P-C4' energy: -202.282
flat angles P-C4'-P energy: -138.497
tors. eta vs tors. theta energy: -266.272
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: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2970.320954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.320954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.320954 (E_RNA)
where:
Base-Base interactions energy: -2047.008
where: short stacking energy: -855.452
Base-Backbone interact. energy: -1.928
local terms energy: -921.385093
where:
bonds (distance) C4'-P energy: -167.047
bonds (distance) P-C4' energy: -162.670
flat angles C4'-P-C4' energy: -210.191
flat angles P-C4'-P energy: -137.627
tors. eta vs tors. theta energy: -243.851
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: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2805.434758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.434758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.434758 (E_RNA)
where:
Base-Base interactions energy: -1871.575
where: short stacking energy: -847.298
Base-Backbone interact. energy: -2.881
local terms energy: -930.977985
where:
bonds (distance) C4'-P energy: -183.849
bonds (distance) P-C4' energy: -161.021
flat angles C4'-P-C4' energy: -198.349
flat angles P-C4'-P energy: -127.232
tors. eta vs tors. theta energy: -260.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2662.572335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.572335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.572335 (E_RNA)
where:
Base-Base interactions energy: -1782.625
where: short stacking energy: -745.888
Base-Backbone interact. energy: -5.604
local terms energy: -874.343703
where:
bonds (distance) C4'-P energy: -174.967
bonds (distance) P-C4' energy: -166.349
flat angles C4'-P-C4' energy: -193.564
flat angles P-C4'-P energy: -119.622
tors. eta vs tors. theta energy: -219.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2365.026597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.026597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.026597 (E_RNA)
where:
Base-Base interactions energy: -1587.725
where: short stacking energy: -658.056
Base-Backbone interact. energy: -0.562
local terms energy: -776.738978
where:
bonds (distance) C4'-P energy: -151.754
bonds (distance) P-C4' energy: -163.057
flat angles C4'-P-C4' energy: -183.955
flat angles P-C4'-P energy: -108.833
tors. eta vs tors. theta energy: -169.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2308.064672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.064672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.064672 (E_RNA)
where:
Base-Base interactions energy: -1533.379
where: short stacking energy: -662.013
Base-Backbone interact. energy: 0.635
local terms energy: -775.320270
where:
bonds (distance) C4'-P energy: -154.940
bonds (distance) P-C4' energy: -142.550
flat angles C4'-P-C4' energy: -189.905
flat angles P-C4'-P energy: -103.122
tors. eta vs tors. theta energy: -184.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2079.538029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.538029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.538029 (E_RNA)
where:
Base-Base interactions energy: -1359.688
where: short stacking energy: -606.125
Base-Backbone interact. energy: 2.436
local terms energy: -722.286148
where:
bonds (distance) C4'-P energy: -147.031
bonds (distance) P-C4' energy: -155.483
flat angles C4'-P-C4' energy: -164.229
flat angles P-C4'-P energy: -107.982
tors. eta vs tors. theta energy: -147.562
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: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1485.500647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.500647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.500647 (E_RNA)
where:
Base-Base interactions energy: -929.440
where: short stacking energy: -426.746
Base-Backbone interact. energy: -3.367
local terms energy: -552.693552
where:
bonds (distance) C4'-P energy: -146.801
bonds (distance) P-C4' energy: -144.692
flat angles C4'-P-C4' energy: -123.241
flat angles P-C4'-P energy: -82.575
tors. eta vs tors. theta energy: -55.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1102.340673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.340673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.340673 (E_RNA)
where:
Base-Base interactions energy: -607.517
where: short stacking energy: -342.160
Base-Backbone interact. energy: -1.951
local terms energy: -492.872802
where:
bonds (distance) C4'-P energy: -128.452
bonds (distance) P-C4' energy: -145.264
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -89.943
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -784.018549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.018549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.018549 (E_RNA)
where:
Base-Base interactions energy: -359.673
where: short stacking energy: -214.629
Base-Backbone interact. energy: 2.369
local terms energy: -426.714957
where:
bonds (distance) C4'-P energy: -126.866
bonds (distance) P-C4' energy: -156.125
flat angles C4'-P-C4' energy: -108.958
flat angles P-C4'-P energy: -64.413
tors. eta vs tors. theta energy: 29.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -3087.431864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3087.431864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3087.431864 (E_RNA)
where:
Base-Base interactions energy: -2102.326
where: short stacking energy: -913.485
Base-Backbone interact. energy: -4.493
local terms energy: -980.613605
where:
bonds (distance) C4'-P energy: -187.877
bonds (distance) P-C4' energy: -166.128
flat angles C4'-P-C4' energy: -211.951
flat angles P-C4'-P energy: -132.006
tors. eta vs tors. theta energy: -282.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2945.396447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.396447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.396447 (E_RNA)
where:
Base-Base interactions energy: -2030.669
where: short stacking energy: -849.594
Base-Backbone interact. energy: 3.534
local terms energy: -918.261113
where:
bonds (distance) C4'-P energy: -179.739
bonds (distance) P-C4' energy: -169.941
flat angles C4'-P-C4' energy: -201.128
flat angles P-C4'-P energy: -120.489
tors. eta vs tors. theta energy: -246.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2761.049612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.049612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.049612 (E_RNA)
where:
Base-Base interactions energy: -1847.902
where: short stacking energy: -811.826
Base-Backbone interact. energy: -2.063
local terms energy: -911.084565
where:
bonds (distance) C4'-P energy: -189.192
bonds (distance) P-C4' energy: -168.325
flat angles C4'-P-C4' energy: -187.975
flat angles P-C4'-P energy: -129.187
tors. eta vs tors. theta energy: -236.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2628.012690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.012690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.012690 (E_RNA)
where:
Base-Base interactions energy: -1813.686
where: short stacking energy: -756.558
Base-Backbone interact. energy: 3.573
local terms energy: -817.900361
where:
bonds (distance) C4'-P energy: -155.962
bonds (distance) P-C4' energy: -161.716
flat angles C4'-P-C4' energy: -183.995
flat angles P-C4'-P energy: -110.171
tors. eta vs tors. theta energy: -206.057
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: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2372.685835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.685835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.685835 (E_RNA)
where:
Base-Base interactions energy: -1574.075
where: short stacking energy: -678.910
Base-Backbone interact. energy: -0.227
local terms energy: -798.383282
where:
bonds (distance) C4'-P energy: -156.273
bonds (distance) P-C4' energy: -166.294
flat angles C4'-P-C4' energy: -178.907
flat angles P-C4'-P energy: -110.222
tors. eta vs tors. theta energy: -186.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2344.595847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.595847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.595847 (E_RNA)
where:
Base-Base interactions energy: -1559.820
where: short stacking energy: -671.225
Base-Backbone interact. energy: -3.652
local terms energy: -781.122900
where:
bonds (distance) C4'-P energy: -156.281
bonds (distance) P-C4' energy: -159.991
flat angles C4'-P-C4' energy: -171.194
flat angles P-C4'-P energy: -116.214
tors. eta vs tors. theta energy: -177.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2019.452867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.452867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.452867 (E_RNA)
where:
Base-Base interactions energy: -1301.355
where: short stacking energy: -562.181
Base-Backbone interact. energy: -4.506
local terms energy: -713.591838
where:
bonds (distance) C4'-P energy: -143.024
bonds (distance) P-C4' energy: -168.558
flat angles C4'-P-C4' energy: -181.909
flat angles P-C4'-P energy: -90.416
tors. eta vs tors. theta energy: -129.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1488.122809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.122809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.122809 (E_RNA)
where:
Base-Base interactions energy: -870.275
where: short stacking energy: -402.143
Base-Backbone interact. energy: -2.501
local terms energy: -615.346292
where:
bonds (distance) C4'-P energy: -156.291
bonds (distance) P-C4' energy: -145.343
flat angles C4'-P-C4' energy: -148.852
flat angles P-C4'-P energy: -105.815
tors. eta vs tors. theta energy: -59.046
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: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1184.643983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.643983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.643983 (E_RNA)
where:
Base-Base interactions energy: -672.292
where: short stacking energy: -331.405
Base-Backbone interact. energy: 4.706
local terms energy: -517.057923
where:
bonds (distance) C4'-P energy: -133.746
bonds (distance) P-C4' energy: -151.444
flat angles C4'-P-C4' energy: -125.405
flat angles P-C4'-P energy: -79.964
tors. eta vs tors. theta energy: -26.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -809.677704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.677704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.677704 (E_RNA)
where:
Base-Base interactions energy: -384.699
where: short stacking energy: -233.594
Base-Backbone interact. energy: 2.652
local terms energy: -427.631068
where:
bonds (distance) C4'-P energy: -140.304
bonds (distance) P-C4' energy: -111.620
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -85.200
tors. eta vs tors. theta energy: 13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -3104.387824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3104.387824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3104.387824 (E_RNA)
where:
Base-Base interactions energy: -2102.615
where: short stacking energy: -886.283
Base-Backbone interact. energy: -0.800
local terms energy: -1000.972935
where:
bonds (distance) C4'-P energy: -177.037
bonds (distance) P-C4' energy: -187.473
flat angles C4'-P-C4' energy: -216.518
flat angles P-C4'-P energy: -142.948
tors. eta vs tors. theta energy: -276.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2904.077203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.077203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.077203 (E_RNA)
where:
Base-Base interactions energy: -1973.697
where: short stacking energy: -823.574
Base-Backbone interact. energy: -2.722
local terms energy: -927.658672
where:
bonds (distance) C4'-P energy: -159.866
bonds (distance) P-C4' energy: -181.955
flat angles C4'-P-C4' energy: -204.606
flat angles P-C4'-P energy: -135.158
tors. eta vs tors. theta energy: -246.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2825.130375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.130375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.130375 (E_RNA)
where:
Base-Base interactions energy: -1888.632
where: short stacking energy: -854.882
Base-Backbone interact. energy: -1.494
local terms energy: -935.004573
where:
bonds (distance) C4'-P energy: -162.900
bonds (distance) P-C4' energy: -188.388
flat angles C4'-P-C4' energy: -193.359
flat angles P-C4'-P energy: -130.353
tors. eta vs tors. theta energy: -260.004
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: 331
Temperature: 1.050000
Total energy: -2684.497732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.497732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.497732 (E_RNA)
where:
Base-Base interactions energy: -1847.941
where: short stacking energy: -777.101
Base-Backbone interact. energy: -3.921
local terms energy: -832.635339
where:
bonds (distance) C4'-P energy: -173.218
bonds (distance) P-C4' energy: -155.271
flat angles C4'-P-C4' energy: -171.634
flat angles P-C4'-P energy: -110.660
tors. eta vs tors. theta energy: -221.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2319.792881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.792881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.792881 (E_RNA)
where:
Base-Base interactions energy: -1537.791
where: short stacking energy: -688.186
Base-Backbone interact. energy: -5.307
local terms energy: -776.695066
where:
bonds (distance) C4'-P energy: -158.570
bonds (distance) P-C4' energy: -151.228
flat angles C4'-P-C4' energy: -182.913
flat angles P-C4'-P energy: -112.241
tors. eta vs tors. theta energy: -171.743
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: 331
Temperature: 1.150000
Total energy: -2324.163652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.163652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.163652 (E_RNA)
where:
Base-Base interactions energy: -1549.833
where: short stacking energy: -673.579
Base-Backbone interact. energy: -0.821
local terms energy: -773.509092
where:
bonds (distance) C4'-P energy: -139.370
bonds (distance) P-C4' energy: -151.402
flat angles C4'-P-C4' energy: -187.817
flat angles P-C4'-P energy: -110.935
tors. eta vs tors. theta energy: -183.985
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: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1934.752923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.752923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.752923 (E_RNA)
where:
Base-Base interactions energy: -1292.094
where: short stacking energy: -586.763
Base-Backbone interact. energy: 0.761
local terms energy: -643.419562
where:
bonds (distance) C4'-P energy: -156.822
bonds (distance) P-C4' energy: -152.462
flat angles C4'-P-C4' energy: -139.805
flat angles P-C4'-P energy: -87.570
tors. eta vs tors. theta energy: -106.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1477.704672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.704672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.704672 (E_RNA)
where:
Base-Base interactions energy: -896.133
where: short stacking energy: -431.013
Base-Backbone interact. energy: -2.827
local terms energy: -578.745509
where:
bonds (distance) C4'-P energy: -147.224
bonds (distance) P-C4' energy: -140.114
flat angles C4'-P-C4' energy: -155.097
flat angles P-C4'-P energy: -78.106
tors. eta vs tors. theta energy: -58.204
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: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1121.855196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.855196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.855196 (E_RNA)
where:
Base-Base interactions energy: -597.070
where: short stacking energy: -312.179
Base-Backbone interact. energy: -1.489
local terms energy: -523.296227
where:
bonds (distance) C4'-P energy: -148.553
bonds (distance) P-C4' energy: -149.560
flat angles C4'-P-C4' energy: -137.897
flat angles P-C4'-P energy: -76.386
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -828.435131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.435131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.435131 (E_RNA)
where:
Base-Base interactions energy: -367.699
where: short stacking energy: -225.358
Base-Backbone interact. energy: -3.243
local terms energy: -457.492668
where:
bonds (distance) C4'-P energy: -144.431
bonds (distance) P-C4' energy: -149.004
flat angles C4'-P-C4' energy: -103.613
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: 15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -3092.315896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3092.315896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3092.315896 (E_RNA)
where:
Base-Base interactions energy: -2102.144
where: short stacking energy: -907.535
Base-Backbone interact. energy: -1.224
local terms energy: -988.947804
where:
bonds (distance) C4'-P energy: -170.918
bonds (distance) P-C4' energy: -182.614
flat angles C4'-P-C4' energy: -208.733
flat angles P-C4'-P energy: -145.150
tors. eta vs tors. theta energy: -281.532
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2972.332483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.332483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.332483 (E_RNA)
where:
Base-Base interactions energy: -2025.830
where: short stacking energy: -835.145
Base-Backbone interact. energy: -0.560
local terms energy: -945.943025
where:
bonds (distance) C4'-P energy: -176.456
bonds (distance) P-C4' energy: -179.087
flat angles C4'-P-C4' energy: -198.864
flat angles P-C4'-P energy: -143.020
tors. eta vs tors. theta energy: -248.515
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: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2793.479535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.479535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.479535 (E_RNA)
where:
Base-Base interactions energy: -1877.224
where: short stacking energy: -818.025
Base-Backbone interact. energy: -0.711
local terms energy: -915.544646
where:
bonds (distance) C4'-P energy: -165.155
bonds (distance) P-C4' energy: -183.625
flat angles C4'-P-C4' energy: -189.094
flat angles P-C4'-P energy: -133.773
tors. eta vs tors. theta energy: -243.898
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2655.249980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.249980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.249980 (E_RNA)
where:
Base-Base interactions energy: -1781.295
where: short stacking energy: -742.894
Base-Backbone interact. energy: 1.086
local terms energy: -875.041420
where:
bonds (distance) C4'-P energy: -162.890
bonds (distance) P-C4' energy: -167.162
flat angles C4'-P-C4' energy: -194.495
flat angles P-C4'-P energy: -134.514
tors. eta vs tors. theta energy: -215.980
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: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2341.631784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.631784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.631784 (E_RNA)
where:
Base-Base interactions energy: -1552.172
where: short stacking energy: -672.792
Base-Backbone interact. energy: -1.540
local terms energy: -787.919672
where:
bonds (distance) C4'-P energy: -162.973
bonds (distance) P-C4' energy: -147.914
flat angles C4'-P-C4' energy: -179.238
flat angles P-C4'-P energy: -115.661
tors. eta vs tors. theta energy: -182.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2264.166816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.166816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.166816 (E_RNA)
where:
Base-Base interactions energy: -1485.258
where: short stacking energy: -654.288
Base-Backbone interact. energy: 2.558
local terms energy: -781.467364
where:
bonds (distance) C4'-P energy: -160.671
bonds (distance) P-C4' energy: -147.621
flat angles C4'-P-C4' energy: -189.234
flat angles P-C4'-P energy: -110.838
tors. eta vs tors. theta energy: -173.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2049.895322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.895322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.895322 (E_RNA)
where:
Base-Base interactions energy: -1331.631
where: short stacking energy: -595.301
Base-Backbone interact. energy: -1.530
local terms energy: -716.734122
where:
bonds (distance) C4'-P energy: -141.665
bonds (distance) P-C4' energy: -160.397
flat angles C4'-P-C4' energy: -158.418
flat angles P-C4'-P energy: -102.354
tors. eta vs tors. theta energy: -153.900
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1382.341427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.341427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.341427 (E_RNA)
where:
Base-Base interactions energy: -808.477
where: short stacking energy: -397.221
Base-Backbone interact. energy: 3.858
local terms energy: -577.722843
where:
bonds (distance) C4'-P energy: -139.677
bonds (distance) P-C4' energy: -162.312
flat angles C4'-P-C4' energy: -155.899
flat angles P-C4'-P energy: -81.481
tors. eta vs tors. theta energy: -38.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1099.708523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.708523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.708523 (E_RNA)
where:
Base-Base interactions energy: -626.129
where: short stacking energy: -302.407
Base-Backbone interact. energy: -1.283
local terms energy: -472.296429
where:
bonds (distance) C4'-P energy: -130.637
bonds (distance) P-C4' energy: -149.915
flat angles C4'-P-C4' energy: -117.610
flat angles P-C4'-P energy: -55.386
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -784.509818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.509818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.509818 (E_RNA)
where:
Base-Base interactions energy: -316.739
where: short stacking energy: -210.886
Base-Backbone interact. energy: -0.661
local terms energy: -467.109275
where:
bonds (distance) C4'-P energy: -163.053
bonds (distance) P-C4' energy: -142.233
flat angles C4'-P-C4' energy: -119.574
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: 14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -3117.582678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3117.582678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3117.582678 (E_RNA)
where:
Base-Base interactions energy: -2114.378
where: short stacking energy: -923.290
Base-Backbone interact. energy: -2.492
local terms energy: -1000.712521
where:
bonds (distance) C4'-P energy: -181.355
bonds (distance) P-C4' energy: -181.220
flat angles C4'-P-C4' energy: -211.440
flat angles P-C4'-P energy: -152.930
tors. eta vs tors. theta energy: -273.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -3005.206059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3005.206059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.206059 (E_RNA)
where:
Base-Base interactions energy: -2056.933
where: short stacking energy: -876.838
Base-Backbone interact. energy: -4.641
local terms energy: -943.632025
where:
bonds (distance) C4'-P energy: -157.249
bonds (distance) P-C4' energy: -186.227
flat angles C4'-P-C4' energy: -206.721
flat angles P-C4'-P energy: -134.008
tors. eta vs tors. theta energy: -259.428
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: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2812.407946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.407946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.407946 (E_RNA)
where:
Base-Base interactions energy: -1932.289
where: short stacking energy: -813.373
Base-Backbone interact. energy: -1.352
local terms energy: -878.766788
where:
bonds (distance) C4'-P energy: -150.159
bonds (distance) P-C4' energy: -178.344
flat angles C4'-P-C4' energy: -177.206
flat angles P-C4'-P energy: -133.395
tors. eta vs tors. theta energy: -239.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2645.541757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.541757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.541757 (E_RNA)
where:
Base-Base interactions energy: -1798.688
where: short stacking energy: -775.228
Base-Backbone interact. energy: -3.840
local terms energy: -843.013477
where:
bonds (distance) C4'-P energy: -158.870
bonds (distance) P-C4' energy: -164.031
flat angles C4'-P-C4' energy: -181.794
flat angles P-C4'-P energy: -111.428
tors. eta vs tors. theta energy: -226.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2330.711301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.711301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.711301 (E_RNA)
where:
Base-Base interactions energy: -1517.881
where: short stacking energy: -650.209
Base-Backbone interact. energy: -0.904
local terms energy: -811.926270
where:
bonds (distance) C4'-P energy: -172.978
bonds (distance) P-C4' energy: -163.730
flat angles C4'-P-C4' energy: -180.563
flat angles P-C4'-P energy: -129.606
tors. eta vs tors. theta energy: -165.049
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: 333
Temperature: 1.150000
Total energy: -2225.990888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.990888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.990888 (E_RNA)
where:
Base-Base interactions energy: -1489.100
where: short stacking energy: -661.025
Base-Backbone interact. energy: 0.271
local terms energy: -737.162058
where:
bonds (distance) C4'-P energy: -157.153
bonds (distance) P-C4' energy: -143.669
flat angles C4'-P-C4' energy: -160.011
flat angles P-C4'-P energy: -104.264
tors. eta vs tors. theta energy: -172.065
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: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2124.851494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.851494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.851494 (E_RNA)
where:
Base-Base interactions energy: -1366.314
where: short stacking energy: -590.639
Base-Backbone interact. energy: -0.515
local terms energy: -758.021587
where:
bonds (distance) C4'-P energy: -149.625
bonds (distance) P-C4' energy: -156.352
flat angles C4'-P-C4' energy: -176.812
flat angles P-C4'-P energy: -112.975
tors. eta vs tors. theta energy: -162.257
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: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1366.529032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.529032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.529032 (E_RNA)
where:
Base-Base interactions energy: -818.959
where: short stacking energy: -384.941
Base-Backbone interact. energy: -2.213
local terms energy: -545.357608
where:
bonds (distance) C4'-P energy: -131.552
bonds (distance) P-C4' energy: -150.586
flat angles C4'-P-C4' energy: -141.731
flat angles P-C4'-P energy: -79.620
tors. eta vs tors. theta energy: -41.868
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: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1090.860456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.860456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.860456 (E_RNA)
where:
Base-Base interactions energy: -544.780
where: short stacking energy: -302.797
Base-Backbone interact. energy: -5.199
local terms energy: -540.881790
where:
bonds (distance) C4'-P energy: -144.891
bonds (distance) P-C4' energy: -170.275
flat angles C4'-P-C4' energy: -138.613
flat angles P-C4'-P energy: -82.760
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -777.160273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.160273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.160273 (E_RNA)
where:
Base-Base interactions energy: -335.399
where: short stacking energy: -197.915
Base-Backbone interact. energy: 0.104
local terms energy: -441.864485
where:
bonds (distance) C4'-P energy: -123.796
bonds (distance) P-C4' energy: -118.642
flat angles C4'-P-C4' energy: -142.644
flat angles P-C4'-P energy: -85.568
tors. eta vs tors. theta energy: 28.786
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -3077.992551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3077.992551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3077.992551 (E_RNA)
where:
Base-Base interactions energy: -2087.452
where: short stacking energy: -930.789
Base-Backbone interact. energy: -4.193
local terms energy: -986.347077
where:
bonds (distance) C4'-P energy: -186.835
bonds (distance) P-C4' energy: -181.598
flat angles C4'-P-C4' energy: -214.067
flat angles P-C4'-P energy: -125.657
tors. eta vs tors. theta energy: -278.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2969.765498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.765498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.765498 (E_RNA)
where:
Base-Base interactions energy: -2055.332
where: short stacking energy: -849.700
Base-Backbone interact. energy: -1.116
local terms energy: -913.316755
where:
bonds (distance) C4'-P energy: -169.529
bonds (distance) P-C4' energy: -181.459
flat angles C4'-P-C4' energy: -197.668
flat angles P-C4'-P energy: -125.569
tors. eta vs tors. theta energy: -239.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2820.107628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.107628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.107628 (E_RNA)
where:
Base-Base interactions energy: -1905.346
where: short stacking energy: -809.903
Base-Backbone interact. energy: -0.049
local terms energy: -914.713338
where:
bonds (distance) C4'-P energy: -168.889
bonds (distance) P-C4' energy: -177.046
flat angles C4'-P-C4' energy: -180.474
flat angles P-C4'-P energy: -136.665
tors. eta vs tors. theta energy: -251.639
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: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2697.378968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.378968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.378968 (E_RNA)
where:
Base-Base interactions energy: -1872.517
where: short stacking energy: -773.479
Base-Backbone interact. energy: -6.918
local terms energy: -817.943057
where:
bonds (distance) C4'-P energy: -167.164
bonds (distance) P-C4' energy: -139.645
flat angles C4'-P-C4' energy: -174.520
flat angles P-C4'-P energy: -122.093
tors. eta vs tors. theta energy: -214.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2333.475162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.475162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.475162 (E_RNA)
where:
Base-Base interactions energy: -1562.504
where: short stacking energy: -661.060
Base-Backbone interact. energy: -3.139
local terms energy: -767.832023
where:
bonds (distance) C4'-P energy: -173.389
bonds (distance) P-C4' energy: -150.287
flat angles C4'-P-C4' energy: -164.881
flat angles P-C4'-P energy: -100.192
tors. eta vs tors. theta energy: -179.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2250.729863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.729863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.729863 (E_RNA)
where:
Base-Base interactions energy: -1497.465
where: short stacking energy: -661.072
Base-Backbone interact. energy: 5.675
local terms energy: -758.940149
where:
bonds (distance) C4'-P energy: -141.169
bonds (distance) P-C4' energy: -156.951
flat angles C4'-P-C4' energy: -173.031
flat angles P-C4'-P energy: -105.950
tors. eta vs tors. theta energy: -181.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2164.475415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.475415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.475415 (E_RNA)
where:
Base-Base interactions energy: -1438.438
where: short stacking energy: -634.919
Base-Backbone interact. energy: 0.460
local terms energy: -726.498058
where:
bonds (distance) C4'-P energy: -143.517
bonds (distance) P-C4' energy: -128.953
flat angles C4'-P-C4' energy: -170.406
flat angles P-C4'-P energy: -122.458
tors. eta vs tors. theta energy: -161.164
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: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1364.834326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.834326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.834326 (E_RNA)
where:
Base-Base interactions energy: -794.339
where: short stacking energy: -377.579
Base-Backbone interact. energy: -1.844
local terms energy: -568.651992
where:
bonds (distance) C4'-P energy: -156.441
bonds (distance) P-C4' energy: -153.692
flat angles C4'-P-C4' energy: -143.254
flat angles P-C4'-P energy: -81.414
tors. eta vs tors. theta energy: -33.851
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: 334
Temperature: 1.300000
Total energy: -1081.603231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.603231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.603231 (E_RNA)
where:
Base-Base interactions energy: -545.059
where: short stacking energy: -273.184
Base-Backbone interact. energy: -2.588
local terms energy: -533.956981
where:
bonds (distance) C4'-P energy: -124.709
bonds (distance) P-C4' energy: -160.348
flat angles C4'-P-C4' energy: -145.341
flat angles P-C4'-P energy: -79.586
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -755.546513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.546513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.546513 (E_RNA)
where:
Base-Base interactions energy: -317.853
where: short stacking energy: -230.677
Base-Backbone interact. energy: 1.125
local terms energy: -438.818758
where:
bonds (distance) C4'-P energy: -133.634
bonds (distance) P-C4' energy: -150.440
flat angles C4'-P-C4' energy: -147.782
flat angles P-C4'-P energy: -47.495
tors. eta vs tors. theta energy: 40.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -3074.522402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.522402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.522402 (E_RNA)
where:
Base-Base interactions energy: -2079.996
where: short stacking energy: -918.384
Base-Backbone interact. energy: -3.323
local terms energy: -991.202608
where:
bonds (distance) C4'-P energy: -172.980
bonds (distance) P-C4' energy: -189.188
flat angles C4'-P-C4' energy: -199.568
flat angles P-C4'-P energy: -138.263
tors. eta vs tors. theta energy: -291.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2930.388341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.388341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.388341 (E_RNA)
where:
Base-Base interactions energy: -2001.634
where: short stacking energy: -864.437
Base-Backbone interact. energy: -5.328
local terms energy: -923.426858
where:
bonds (distance) C4'-P energy: -177.026
bonds (distance) P-C4' energy: -171.689
flat angles C4'-P-C4' energy: -190.260
flat angles P-C4'-P energy: -138.546
tors. eta vs tors. theta energy: -245.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2752.287999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.287999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.287999 (E_RNA)
where:
Base-Base interactions energy: -1866.711
where: short stacking energy: -789.278
Base-Backbone interact. energy: 4.764
local terms energy: -890.340676
where:
bonds (distance) C4'-P energy: -156.789
bonds (distance) P-C4' energy: -178.244
flat angles C4'-P-C4' energy: -191.700
flat angles P-C4'-P energy: -128.204
tors. eta vs tors. theta energy: -235.403
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: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2719.070181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.070181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.070181 (E_RNA)
where:
Base-Base interactions energy: -1853.683
where: short stacking energy: -777.558
Base-Backbone interact. energy: 1.314
local terms energy: -866.701613
where:
bonds (distance) C4'-P energy: -176.078
bonds (distance) P-C4' energy: -159.476
flat angles C4'-P-C4' energy: -186.917
flat angles P-C4'-P energy: -111.351
tors. eta vs tors. theta energy: -232.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2327.563102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.563102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.563102 (E_RNA)
where:
Base-Base interactions energy: -1531.244
where: short stacking energy: -708.129
Base-Backbone interact. energy: 1.540
local terms energy: -797.859253
where:
bonds (distance) C4'-P energy: -166.334
bonds (distance) P-C4' energy: -158.322
flat angles C4'-P-C4' energy: -169.629
flat angles P-C4'-P energy: -120.210
tors. eta vs tors. theta energy: -183.363
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: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2233.996839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.996839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.996839 (E_RNA)
where:
Base-Base interactions energy: -1499.849
where: short stacking energy: -656.979
Base-Backbone interact. energy: 2.660
local terms energy: -736.808314
where:
bonds (distance) C4'-P energy: -142.054
bonds (distance) P-C4' energy: -156.582
flat angles C4'-P-C4' energy: -168.769
flat angles P-C4'-P energy: -98.451
tors. eta vs tors. theta energy: -170.952
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: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2073.721842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.721842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.721842 (E_RNA)
where:
Base-Base interactions energy: -1374.617
where: short stacking energy: -627.308
Base-Backbone interact. energy: 0.190
local terms energy: -699.295131
where:
bonds (distance) C4'-P energy: -136.466
bonds (distance) P-C4' energy: -147.651
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -114.899
tors. eta vs tors. theta energy: -129.976
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: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1359.646549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.646549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.646549 (E_RNA)
where:
Base-Base interactions energy: -775.315
where: short stacking energy: -383.479
Base-Backbone interact. energy: -1.502
local terms energy: -582.829663
where:
bonds (distance) C4'-P energy: -156.595
bonds (distance) P-C4' energy: -150.546
flat angles C4'-P-C4' energy: -138.119
flat angles P-C4'-P energy: -85.170
tors. eta vs tors. theta energy: -52.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1009.442432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.442432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.442432 (E_RNA)
where:
Base-Base interactions energy: -489.443
where: short stacking energy: -298.901
Base-Backbone interact. energy: 1.474
local terms energy: -521.473377
where:
bonds (distance) C4'-P energy: -130.370
bonds (distance) P-C4' energy: -162.059
flat angles C4'-P-C4' energy: -133.999
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -14.848
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: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -769.946117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.946117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.946117 (E_RNA)
where:
Base-Base interactions energy: -306.028
where: short stacking energy: -207.592
Base-Backbone interact. energy: 0.058
local terms energy: -463.975978
where:
bonds (distance) C4'-P energy: -148.576
bonds (distance) P-C4' energy: -154.102
flat angles C4'-P-C4' energy: -99.565
flat angles P-C4'-P energy: -67.614
tors. eta vs tors. theta energy: 5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -3121.170624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3121.170624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3121.170624 (E_RNA)
where:
Base-Base interactions energy: -2138.497
where: short stacking energy: -928.626
Base-Backbone interact. energy: -5.551
local terms energy: -977.123365
where:
bonds (distance) C4'-P energy: -169.830
bonds (distance) P-C4' energy: -176.074
flat angles C4'-P-C4' energy: -211.773
flat angles P-C4'-P energy: -133.678
tors. eta vs tors. theta energy: -285.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2962.579688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.579688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.579688 (E_RNA)
where:
Base-Base interactions energy: -2044.319
where: short stacking energy: -875.777
Base-Backbone interact. energy: -5.677
local terms energy: -912.583830
where:
bonds (distance) C4'-P energy: -174.613
bonds (distance) P-C4' energy: -169.354
flat angles C4'-P-C4' energy: -191.453
flat angles P-C4'-P energy: -126.550
tors. eta vs tors. theta energy: -250.613
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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2740.220152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.220152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.220152 (E_RNA)
where:
Base-Base interactions energy: -1860.284
where: short stacking energy: -828.539
Base-Backbone interact. energy: -1.353
local terms energy: -878.582622
where:
bonds (distance) C4'-P energy: -166.174
bonds (distance) P-C4' energy: -165.412
flat angles C4'-P-C4' energy: -181.835
flat angles P-C4'-P energy: -133.043
tors. eta vs tors. theta energy: -232.120
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: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2730.074686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.074686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.074686 (E_RNA)
where:
Base-Base interactions energy: -1874.547
where: short stacking energy: -764.542
Base-Backbone interact. energy: 1.131
local terms energy: -856.658817
where:
bonds (distance) C4'-P energy: -152.942
bonds (distance) P-C4' energy: -158.120
flat angles C4'-P-C4' energy: -187.114
flat angles P-C4'-P energy: -126.247
tors. eta vs tors. theta energy: -232.236
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: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2318.659309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.659309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.659309 (E_RNA)
where:
Base-Base interactions energy: -1546.829
where: short stacking energy: -679.772
Base-Backbone interact. energy: -2.688
local terms energy: -769.142243
where:
bonds (distance) C4'-P energy: -143.882
bonds (distance) P-C4' energy: -157.212
flat angles C4'-P-C4' energy: -185.115
flat angles P-C4'-P energy: -93.660
tors. eta vs tors. theta energy: -189.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2258.322867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.322867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.322867 (E_RNA)
where:
Base-Base interactions energy: -1525.643
where: short stacking energy: -632.847
Base-Backbone interact. energy: 4.739
local terms energy: -737.418910
where:
bonds (distance) C4'-P energy: -161.445
bonds (distance) P-C4' energy: -128.450
flat angles C4'-P-C4' energy: -171.159
flat angles P-C4'-P energy: -115.791
tors. eta vs tors. theta energy: -160.575
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2044.450773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.450773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.450773 (E_RNA)
where:
Base-Base interactions energy: -1330.166
where: short stacking energy: -591.587
Base-Backbone interact. energy: 2.340
local terms energy: -716.624545
where:
bonds (distance) C4'-P energy: -132.906
bonds (distance) P-C4' energy: -161.187
flat angles C4'-P-C4' energy: -168.249
flat angles P-C4'-P energy: -113.855
tors. eta vs tors. theta energy: -140.428
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: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1328.644141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.644141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.644141 (E_RNA)
where:
Base-Base interactions energy: -757.668
where: short stacking energy: -381.568
Base-Backbone interact. energy: 4.114
local terms energy: -575.090804
where:
bonds (distance) C4'-P energy: -151.826
bonds (distance) P-C4' energy: -147.658
flat angles C4'-P-C4' energy: -150.389
flat angles P-C4'-P energy: -82.651
tors. eta vs tors. theta energy: -42.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -983.341934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.341934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.341934 (E_RNA)
where:
Base-Base interactions energy: -448.679
where: short stacking energy: -266.489
Base-Backbone interact. energy: 1.630
local terms energy: -536.292897
where:
bonds (distance) C4'-P energy: -125.181
bonds (distance) P-C4' energy: -173.529
flat angles C4'-P-C4' energy: -141.408
flat angles P-C4'-P energy: -95.701
tors. eta vs tors. theta energy: -0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -836.415514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.415514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.415514 (E_RNA)
where:
Base-Base interactions energy: -376.096
where: short stacking energy: -243.984
Base-Backbone interact. energy: 3.793
local terms energy: -464.112872
where:
bonds (distance) C4'-P energy: -167.774
bonds (distance) P-C4' energy: -151.225
flat angles C4'-P-C4' energy: -117.369
flat angles P-C4'-P energy: -53.059
tors. eta vs tors. theta energy: 25.315
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: 337
Temperature: 0.900000
Total energy: -3094.157051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3094.157051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3094.157051 (E_RNA)
where:
Base-Base interactions energy: -2137.143
where: short stacking energy: -919.868
Base-Backbone interact. energy: -2.967
local terms energy: -954.046645
where:
bonds (distance) C4'-P energy: -166.505
bonds (distance) P-C4' energy: -169.603
flat angles C4'-P-C4' energy: -200.316
flat angles P-C4'-P energy: -134.035
tors. eta vs tors. theta energy: -283.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2964.465946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.465946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.465946 (E_RNA)
where:
Base-Base interactions energy: -2025.733
where: short stacking energy: -821.923
Base-Backbone interact. energy: 0.890
local terms energy: -939.622869
where:
bonds (distance) C4'-P energy: -189.291
bonds (distance) P-C4' energy: -195.192
flat angles C4'-P-C4' energy: -196.662
flat angles P-C4'-P energy: -136.136
tors. eta vs tors. theta energy: -222.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2730.863839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.863839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.863839 (E_RNA)
where:
Base-Base interactions energy: -1838.899
where: short stacking energy: -794.941
Base-Backbone interact. energy: -2.840
local terms energy: -889.124789
where:
bonds (distance) C4'-P energy: -174.222
bonds (distance) P-C4' energy: -181.284
flat angles C4'-P-C4' energy: -190.761
flat angles P-C4'-P energy: -109.116
tors. eta vs tors. theta energy: -233.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2648.500383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.500383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.500383 (E_RNA)
where:
Base-Base interactions energy: -1812.557
where: short stacking energy: -759.642
Base-Backbone interact. energy: -1.808
local terms energy: -834.134780
where:
bonds (distance) C4'-P energy: -154.763
bonds (distance) P-C4' energy: -170.583
flat angles C4'-P-C4' energy: -184.557
flat angles P-C4'-P energy: -118.744
tors. eta vs tors. theta energy: -205.488
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: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2344.665285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.665285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.665285 (E_RNA)
where:
Base-Base interactions energy: -1487.405
where: short stacking energy: -678.109
Base-Backbone interact. energy: -3.333
local terms energy: -853.927379
where:
bonds (distance) C4'-P energy: -159.730
bonds (distance) P-C4' energy: -167.095
flat angles C4'-P-C4' energy: -204.428
flat angles P-C4'-P energy: -105.297
tors. eta vs tors. theta energy: -217.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2308.710051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.710051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.710051 (E_RNA)
where:
Base-Base interactions energy: -1567.712
where: short stacking energy: -701.052
Base-Backbone interact. energy: 1.683
local terms energy: -742.680359
where:
bonds (distance) C4'-P energy: -134.884
bonds (distance) P-C4' energy: -155.198
flat angles C4'-P-C4' energy: -168.953
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -181.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2023.003855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.003855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.003855 (E_RNA)
where:
Base-Base interactions energy: -1293.258
where: short stacking energy: -588.758
Base-Backbone interact. energy: -0.020
local terms energy: -729.726045
where:
bonds (distance) C4'-P energy: -153.712
bonds (distance) P-C4' energy: -162.026
flat angles C4'-P-C4' energy: -176.978
flat angles P-C4'-P energy: -86.900
tors. eta vs tors. theta energy: -150.109
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: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1262.907376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.907376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.907376 (E_RNA)
where:
Base-Base interactions energy: -715.570
where: short stacking energy: -331.052
Base-Backbone interact. energy: -1.712
local terms energy: -545.624914
where:
bonds (distance) C4'-P energy: -130.376
bonds (distance) P-C4' energy: -162.374
flat angles C4'-P-C4' energy: -135.018
flat angles P-C4'-P energy: -90.263
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1025.398936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.398936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.398936 (E_RNA)
where:
Base-Base interactions energy: -517.937
where: short stacking energy: -295.361
Base-Backbone interact. energy: 6.320
local terms energy: -513.781683
where:
bonds (distance) C4'-P energy: -134.400
bonds (distance) P-C4' energy: -152.514
flat angles C4'-P-C4' energy: -135.349
flat angles P-C4'-P energy: -74.258
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -777.483768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.483768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.483768 (E_RNA)
where:
Base-Base interactions energy: -349.544
where: short stacking energy: -230.479
Base-Backbone interact. energy: 2.265
local terms energy: -430.204280
where:
bonds (distance) C4'-P energy: -129.699
bonds (distance) P-C4' energy: -139.965
flat angles C4'-P-C4' energy: -129.485
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: 11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -3075.517939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3075.517939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3075.517939 (E_RNA)
where:
Base-Base interactions energy: -2105.545
where: short stacking energy: -892.581
Base-Backbone interact. energy: -5.201
local terms energy: -964.771575
where:
bonds (distance) C4'-P energy: -196.296
bonds (distance) P-C4' energy: -170.567
flat angles C4'-P-C4' energy: -207.577
flat angles P-C4'-P energy: -116.690
tors. eta vs tors. theta energy: -273.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2971.030573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.030573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.030573 (E_RNA)
where:
Base-Base interactions energy: -2050.764
where: short stacking energy: -836.501
Base-Backbone interact. energy: -3.684
local terms energy: -916.582250
where:
bonds (distance) C4'-P energy: -158.889
bonds (distance) P-C4' energy: -196.300
flat angles C4'-P-C4' energy: -184.983
flat angles P-C4'-P energy: -129.674
tors. eta vs tors. theta energy: -246.737
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: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2765.054077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.054077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.054077 (E_RNA)
where:
Base-Base interactions energy: -1866.461
where: short stacking energy: -837.456
Base-Backbone interact. energy: -3.143
local terms energy: -895.450204
where:
bonds (distance) C4'-P energy: -154.574
bonds (distance) P-C4' energy: -167.651
flat angles C4'-P-C4' energy: -207.290
flat angles P-C4'-P energy: -120.516
tors. eta vs tors. theta energy: -245.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2661.235938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.235938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.235938 (E_RNA)
where:
Base-Base interactions energy: -1808.326
where: short stacking energy: -744.149
Base-Backbone interact. energy: -0.262
local terms energy: -852.647959
where:
bonds (distance) C4'-P energy: -161.734
bonds (distance) P-C4' energy: -169.298
flat angles C4'-P-C4' energy: -188.365
flat angles P-C4'-P energy: -114.837
tors. eta vs tors. theta energy: -218.414
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2339.433679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.433679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.433679 (E_RNA)
where:
Base-Base interactions energy: -1500.670
where: short stacking energy: -700.106
Base-Backbone interact. energy: -1.964
local terms energy: -836.799114
where:
bonds (distance) C4'-P energy: -167.238
bonds (distance) P-C4' energy: -175.961
flat angles C4'-P-C4' energy: -179.123
flat angles P-C4'-P energy: -115.827
tors. eta vs tors. theta energy: -198.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2316.914346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.914346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.914346 (E_RNA)
where:
Base-Base interactions energy: -1510.902
where: short stacking energy: -652.486
Base-Backbone interact. energy: -1.909
local terms energy: -804.103082
where:
bonds (distance) C4'-P energy: -161.171
bonds (distance) P-C4' energy: -162.603
flat angles C4'-P-C4' energy: -182.239
flat angles P-C4'-P energy: -115.317
tors. eta vs tors. theta energy: -182.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2036.269207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.269207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.269207 (E_RNA)
where:
Base-Base interactions energy: -1351.968
where: short stacking energy: -629.519
Base-Backbone interact. energy: 2.574
local terms energy: -686.874696
where:
bonds (distance) C4'-P energy: -145.429
bonds (distance) P-C4' energy: -132.970
flat angles C4'-P-C4' energy: -150.195
flat angles P-C4'-P energy: -99.946
tors. eta vs tors. theta energy: -158.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1207.811411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.811411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.811411 (E_RNA)
where:
Base-Base interactions energy: -662.234
where: short stacking energy: -354.597
Base-Backbone interact. energy: 3.984
local terms energy: -549.560863
where:
bonds (distance) C4'-P energy: -155.193
bonds (distance) P-C4' energy: -137.339
flat angles C4'-P-C4' energy: -133.625
flat angles P-C4'-P energy: -90.110
tors. eta vs tors. theta energy: -33.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1020.916285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.916285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.916285 (E_RNA)
where:
Base-Base interactions energy: -529.626
where: short stacking energy: -309.191
Base-Backbone interact. energy: -5.016
local terms energy: -486.274118
where:
bonds (distance) C4'-P energy: -120.367
bonds (distance) P-C4' energy: -145.081
flat angles C4'-P-C4' energy: -140.411
flat angles P-C4'-P energy: -75.385
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -809.703480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.703480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.703480 (E_RNA)
where:
Base-Base interactions energy: -352.332
where: short stacking energy: -220.978
Base-Backbone interact. energy: 0.958
local terms energy: -458.329251
where:
bonds (distance) C4'-P energy: -138.737
bonds (distance) P-C4' energy: -151.894
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -72.752
tors. eta vs tors. theta energy: 23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -3073.950584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3073.950584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3073.950584 (E_RNA)
where:
Base-Base interactions energy: -2099.084
where: short stacking energy: -873.073
Base-Backbone interact. energy: -3.066
local terms energy: -971.801106
where:
bonds (distance) C4'-P energy: -182.660
bonds (distance) P-C4' energy: -173.270
flat angles C4'-P-C4' energy: -214.470
flat angles P-C4'-P energy: -139.686
tors. eta vs tors. theta energy: -261.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2983.296709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.296709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.296709 (E_RNA)
where:
Base-Base interactions energy: -2064.120
where: short stacking energy: -854.589
Base-Backbone interact. energy: 1.005
local terms energy: -920.181905
where:
bonds (distance) C4'-P energy: -174.581
bonds (distance) P-C4' energy: -186.338
flat angles C4'-P-C4' energy: -192.358
flat angles P-C4'-P energy: -130.704
tors. eta vs tors. theta energy: -236.201
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: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2746.218086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.218086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.218086 (E_RNA)
where:
Base-Base interactions energy: -1842.201
where: short stacking energy: -815.802
Base-Backbone interact. energy: -0.693
local terms energy: -903.323985
where:
bonds (distance) C4'-P energy: -161.608
bonds (distance) P-C4' energy: -171.188
flat angles C4'-P-C4' energy: -191.703
flat angles P-C4'-P energy: -132.525
tors. eta vs tors. theta energy: -246.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2677.636910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.636910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.636910 (E_RNA)
where:
Base-Base interactions energy: -1844.777
where: short stacking energy: -762.629
Base-Backbone interact. energy: -1.162
local terms energy: -831.697620
where:
bonds (distance) C4'-P energy: -150.666
bonds (distance) P-C4' energy: -170.203
flat angles C4'-P-C4' energy: -185.249
flat angles P-C4'-P energy: -109.953
tors. eta vs tors. theta energy: -215.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2339.966183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.966183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.966183 (E_RNA)
where:
Base-Base interactions energy: -1522.122
where: short stacking energy: -654.296
Base-Backbone interact. energy: -3.455
local terms energy: -814.389039
where:
bonds (distance) C4'-P energy: -160.597
bonds (distance) P-C4' energy: -192.853
flat angles C4'-P-C4' energy: -177.455
flat angles P-C4'-P energy: -101.287
tors. eta vs tors. theta energy: -182.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2294.276708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.276708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.276708 (E_RNA)
where:
Base-Base interactions energy: -1512.302
where: short stacking energy: -656.237
Base-Backbone interact. energy: -0.595
local terms energy: -781.380110
where:
bonds (distance) C4'-P energy: -143.502
bonds (distance) P-C4' energy: -172.691
flat angles C4'-P-C4' energy: -174.363
flat angles P-C4'-P energy: -120.815
tors. eta vs tors. theta energy: -170.009
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: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2088.352861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.352861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.352861 (E_RNA)
where:
Base-Base interactions energy: -1357.871
where: short stacking energy: -628.705
Base-Backbone interact. energy: 3.872
local terms energy: -734.353812
where:
bonds (distance) C4'-P energy: -135.965
bonds (distance) P-C4' energy: -162.160
flat angles C4'-P-C4' energy: -171.798
flat angles P-C4'-P energy: -110.326
tors. eta vs tors. theta energy: -154.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1224.835676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.835676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.835676 (E_RNA)
where:
Base-Base interactions energy: -697.119
where: short stacking energy: -342.088
Base-Backbone interact. energy: -0.887
local terms energy: -526.829890
where:
bonds (distance) C4'-P energy: -152.586
bonds (distance) P-C4' energy: -135.642
flat angles C4'-P-C4' energy: -154.829
flat angles P-C4'-P energy: -76.306
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -973.922408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.922408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.922408 (E_RNA)
where:
Base-Base interactions energy: -451.962
where: short stacking energy: -266.049
Base-Backbone interact. energy: 10.544
local terms energy: -532.504090
where:
bonds (distance) C4'-P energy: -162.014
bonds (distance) P-C4' energy: -168.316
flat angles C4'-P-C4' energy: -127.803
flat angles P-C4'-P energy: -61.534
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -843.641682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.641682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.641682 (E_RNA)
where:
Base-Base interactions energy: -388.547
where: short stacking energy: -244.775
Base-Backbone interact. energy: 0.470
local terms energy: -455.564608
where:
bonds (distance) C4'-P energy: -133.268
bonds (distance) P-C4' energy: -156.287
flat angles C4'-P-C4' energy: -119.144
flat angles P-C4'-P energy: -66.364
tors. eta vs tors. theta energy: 19.498
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: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -3099.373255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3099.373255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3099.373255 (E_RNA)
where:
Base-Base interactions energy: -2107.145
where: short stacking energy: -895.434
Base-Backbone interact. energy: -9.994
local terms energy: -982.233729
where:
bonds (distance) C4'-P energy: -177.357
bonds (distance) P-C4' energy: -183.536
flat angles C4'-P-C4' energy: -198.549
flat angles P-C4'-P energy: -138.907
tors. eta vs tors. theta energy: -283.885
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: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2981.356769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.356769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.356769 (E_RNA)
where:
Base-Base interactions energy: -2055.792
where: short stacking energy: -835.779
Base-Backbone interact. energy: 4.052
local terms energy: -929.616578
where:
bonds (distance) C4'-P energy: -174.121
bonds (distance) P-C4' energy: -159.197
flat angles C4'-P-C4' energy: -200.639
flat angles P-C4'-P energy: -140.047
tors. eta vs tors. theta energy: -255.613
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2770.113985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.113985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.113985 (E_RNA)
where:
Base-Base interactions energy: -1854.150
where: short stacking energy: -831.921
Base-Backbone interact. energy: -0.304
local terms energy: -915.659051
where:
bonds (distance) C4'-P energy: -173.830
bonds (distance) P-C4' energy: -167.585
flat angles C4'-P-C4' energy: -189.695
flat angles P-C4'-P energy: -122.690
tors. eta vs tors. theta energy: -261.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2698.176312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.176312 (E_RNA)
where:
Base-Base interactions energy: -1853.878
where: short stacking energy: -768.211
Base-Backbone interact. energy: -3.853
local terms energy: -840.444686
where:
bonds (distance) C4'-P energy: -151.970
bonds (distance) P-C4' energy: -155.760
flat angles C4'-P-C4' energy: -204.053
flat angles P-C4'-P energy: -108.311
tors. eta vs tors. theta energy: -220.351
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: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2322.175850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.175850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.175850 (E_RNA)
where:
Base-Base interactions energy: -1507.755
where: short stacking energy: -657.186
Base-Backbone interact. energy: -5.408
local terms energy: -809.012429
where:
bonds (distance) C4'-P energy: -174.128
bonds (distance) P-C4' energy: -167.050
flat angles C4'-P-C4' energy: -185.089
flat angles P-C4'-P energy: -115.840
tors. eta vs tors. theta energy: -166.905
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: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2215.624604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.624604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.624604 (E_RNA)
where:
Base-Base interactions energy: -1480.824
where: short stacking energy: -615.916
Base-Backbone interact. energy: 2.761
local terms energy: -737.562002
where:
bonds (distance) C4'-P energy: -137.155
bonds (distance) P-C4' energy: -153.125
flat angles C4'-P-C4' energy: -162.242
flat angles P-C4'-P energy: -120.446
tors. eta vs tors. theta energy: -164.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2069.446054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.446054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.446054 (E_RNA)
where:
Base-Base interactions energy: -1334.920
where: short stacking energy: -622.801
Base-Backbone interact. energy: -0.403
local terms energy: -734.122890
where:
bonds (distance) C4'-P energy: -152.352
bonds (distance) P-C4' energy: -153.361
flat angles C4'-P-C4' energy: -158.576
flat angles P-C4'-P energy: -114.075
tors. eta vs tors. theta energy: -155.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1215.577905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.577905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.577905 (E_RNA)
where:
Base-Base interactions energy: -639.881
where: short stacking energy: -353.823
Base-Backbone interact. energy: 4.652
local terms energy: -580.348546
where:
bonds (distance) C4'-P energy: -153.935
bonds (distance) P-C4' energy: -149.046
flat angles C4'-P-C4' energy: -140.070
flat angles P-C4'-P energy: -114.767
tors. eta vs tors. theta energy: -22.530
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: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1013.907588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.907588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.907588 (E_RNA)
where:
Base-Base interactions energy: -531.332
where: short stacking energy: -306.814
Base-Backbone interact. energy: -2.845
local terms energy: -479.730294
where:
bonds (distance) C4'-P energy: -140.083
bonds (distance) P-C4' energy: -144.532
flat angles C4'-P-C4' energy: -130.506
flat angles P-C4'-P energy: -60.141
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -867.279969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.279969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.279969 (E_RNA)
where:
Base-Base interactions energy: -400.271
where: short stacking energy: -234.414
Base-Backbone interact. energy: 1.943
local terms energy: -468.952325
where:
bonds (distance) C4'-P energy: -121.937
bonds (distance) P-C4' energy: -172.641
flat angles C4'-P-C4' energy: -109.634
flat angles P-C4'-P energy: -74.011
tors. eta vs tors. theta energy: 9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -3056.000293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.000293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.000293 (E_RNA)
where:
Base-Base interactions energy: -2080.896
where: short stacking energy: -883.310
Base-Backbone interact. energy: -1.844
local terms energy: -973.259878
where:
bonds (distance) C4'-P energy: -171.747
bonds (distance) P-C4' energy: -188.048
flat angles C4'-P-C4' energy: -209.117
flat angles P-C4'-P energy: -125.437
tors. eta vs tors. theta energy: -278.912
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2987.589661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.589661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.589661 (E_RNA)
where:
Base-Base interactions energy: -2068.964
where: short stacking energy: -858.982
Base-Backbone interact. energy: -3.197
local terms energy: -915.428019
where:
bonds (distance) C4'-P energy: -170.884
bonds (distance) P-C4' energy: -171.023
flat angles C4'-P-C4' energy: -194.877
flat angles P-C4'-P energy: -125.265
tors. eta vs tors. theta energy: -253.380
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: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2698.318645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.318645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.318645 (E_RNA)
where:
Base-Base interactions energy: -1795.618
where: short stacking energy: -795.342
Base-Backbone interact. energy: -2.990
local terms energy: -899.711185
where:
bonds (distance) C4'-P energy: -158.179
bonds (distance) P-C4' energy: -183.127
flat angles C4'-P-C4' energy: -188.173
flat angles P-C4'-P energy: -120.738
tors. eta vs tors. theta energy: -249.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2646.158753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.158753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.158753 (E_RNA)
where:
Base-Base interactions energy: -1813.309
where: short stacking energy: -755.938
Base-Backbone interact. energy: 3.590
local terms energy: -836.439779
where:
bonds (distance) C4'-P energy: -143.559
bonds (distance) P-C4' energy: -167.164
flat angles C4'-P-C4' energy: -199.968
flat angles P-C4'-P energy: -105.916
tors. eta vs tors. theta energy: -219.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2356.544523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.544523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.544523 (E_RNA)
where:
Base-Base interactions energy: -1557.159
where: short stacking energy: -672.750
Base-Backbone interact. energy: 2.026
local terms energy: -801.411998
where:
bonds (distance) C4'-P energy: -153.365
bonds (distance) P-C4' energy: -174.176
flat angles C4'-P-C4' energy: -191.958
flat angles P-C4'-P energy: -94.923
tors. eta vs tors. theta energy: -186.990
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: 341
Temperature: 1.150000
Total energy: -2266.262520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.262520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.262520 (E_RNA)
where:
Base-Base interactions energy: -1505.417
where: short stacking energy: -613.482
Base-Backbone interact. energy: -3.116
local terms energy: -757.729350
where:
bonds (distance) C4'-P energy: -160.700
bonds (distance) P-C4' energy: -175.624
flat angles C4'-P-C4' energy: -164.784
flat angles P-C4'-P energy: -98.576
tors. eta vs tors. theta energy: -158.045
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: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1976.089932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.089932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.089932 (E_RNA)
where:
Base-Base interactions energy: -1296.563
where: short stacking energy: -554.974
Base-Backbone interact. energy: -1.563
local terms energy: -677.964465
where:
bonds (distance) C4'-P energy: -148.910
bonds (distance) P-C4' energy: -158.419
flat angles C4'-P-C4' energy: -151.745
flat angles P-C4'-P energy: -89.943
tors. eta vs tors. theta energy: -128.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1307.526167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.526167 (E_RNA)
where:
Base-Base interactions energy: -728.750
where: short stacking energy: -365.166
Base-Backbone interact. energy: 2.117
local terms energy: -580.892761
where:
bonds (distance) C4'-P energy: -150.042
bonds (distance) P-C4' energy: -156.247
flat angles C4'-P-C4' energy: -133.485
flat angles P-C4'-P energy: -95.512
tors. eta vs tors. theta energy: -45.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1015.949027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.949027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.949027 (E_RNA)
where:
Base-Base interactions energy: -523.279
where: short stacking energy: -299.280
Base-Backbone interact. energy: 6.663
local terms energy: -499.333187
where:
bonds (distance) C4'-P energy: -137.062
bonds (distance) P-C4' energy: -140.262
flat angles C4'-P-C4' energy: -147.237
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: 0.668
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: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -833.718587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.718587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.718587 (E_RNA)
where:
Base-Base interactions energy: -361.032
where: short stacking energy: -222.050
Base-Backbone interact. energy: 2.482
local terms energy: -475.168747
where:
bonds (distance) C4'-P energy: -138.881
bonds (distance) P-C4' energy: -158.061
flat angles C4'-P-C4' energy: -103.719
flat angles P-C4'-P energy: -84.440
tors. eta vs tors. theta energy: 9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -3078.661648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3078.661648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3078.661648 (E_RNA)
where:
Base-Base interactions energy: -2085.813
where: short stacking energy: -885.762
Base-Backbone interact. energy: -5.354
local terms energy: -987.493669
where:
bonds (distance) C4'-P energy: -178.837
bonds (distance) P-C4' energy: -195.788
flat angles C4'-P-C4' energy: -209.309
flat angles P-C4'-P energy: -140.043
tors. eta vs tors. theta energy: -263.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2953.651168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.651168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.651168 (E_RNA)
where:
Base-Base interactions energy: -2017.892
where: short stacking energy: -841.163
Base-Backbone interact. energy: 0.342
local terms energy: -936.100655
where:
bonds (distance) C4'-P energy: -175.274
bonds (distance) P-C4' energy: -179.794
flat angles C4'-P-C4' energy: -199.620
flat angles P-C4'-P energy: -131.500
tors. eta vs tors. theta energy: -249.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2693.038423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.038423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.038423 (E_RNA)
where:
Base-Base interactions energy: -1782.101
where: short stacking energy: -794.609
Base-Backbone interact. energy: 1.167
local terms energy: -912.104684
where:
bonds (distance) C4'-P energy: -157.804
bonds (distance) P-C4' energy: -177.122
flat angles C4'-P-C4' energy: -182.729
flat angles P-C4'-P energy: -134.948
tors. eta vs tors. theta energy: -259.501
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: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2655.666388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.666388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.666388 (E_RNA)
where:
Base-Base interactions energy: -1818.389
where: short stacking energy: -769.989
Base-Backbone interact. energy: -2.252
local terms energy: -835.025887
where:
bonds (distance) C4'-P energy: -167.014
bonds (distance) P-C4' energy: -176.913
flat angles C4'-P-C4' energy: -174.958
flat angles P-C4'-P energy: -91.267
tors. eta vs tors. theta energy: -224.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2370.656453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.656453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.656453 (E_RNA)
where:
Base-Base interactions energy: -1545.523
where: short stacking energy: -702.864
Base-Backbone interact. energy: -6.603
local terms energy: -818.529651
where:
bonds (distance) C4'-P energy: -170.710
bonds (distance) P-C4' energy: -166.577
flat angles C4'-P-C4' energy: -187.246
flat angles P-C4'-P energy: -105.231
tors. eta vs tors. theta energy: -188.765
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2296.660901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.660901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.660901 (E_RNA)
where:
Base-Base interactions energy: -1537.941
where: short stacking energy: -645.723
Base-Backbone interact. energy: 1.706
local terms energy: -760.425738
where:
bonds (distance) C4'-P energy: -142.917
bonds (distance) P-C4' energy: -163.180
flat angles C4'-P-C4' energy: -183.733
flat angles P-C4'-P energy: -112.476
tors. eta vs tors. theta energy: -158.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1996.255937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.255937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.255937 (E_RNA)
where:
Base-Base interactions energy: -1313.181
where: short stacking energy: -551.564
Base-Backbone interact. energy: -0.851
local terms energy: -682.224443
where:
bonds (distance) C4'-P energy: -146.564
bonds (distance) P-C4' energy: -157.404
flat angles C4'-P-C4' energy: -151.395
flat angles P-C4'-P energy: -94.943
tors. eta vs tors. theta energy: -131.920
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: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1298.499039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.499039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.499039 (E_RNA)
where:
Base-Base interactions energy: -751.771
where: short stacking energy: -385.912
Base-Backbone interact. energy: 2.631
local terms energy: -549.358673
where:
bonds (distance) C4'-P energy: -148.930
bonds (distance) P-C4' energy: -136.717
flat angles C4'-P-C4' energy: -151.927
flat angles P-C4'-P energy: -86.846
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1014.598435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.598435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.598435 (E_RNA)
where:
Base-Base interactions energy: -486.179
where: short stacking energy: -282.014
Base-Backbone interact. energy: -3.192
local terms energy: -525.226795
where:
bonds (distance) C4'-P energy: -128.114
bonds (distance) P-C4' energy: -159.286
flat angles C4'-P-C4' energy: -134.739
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -4.918
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: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -796.437179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.437179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.437179 (E_RNA)
where:
Base-Base interactions energy: -346.709
where: short stacking energy: -229.701
Base-Backbone interact. energy: 8.383
local terms energy: -458.111748
where:
bonds (distance) C4'-P energy: -127.778
bonds (distance) P-C4' energy: -153.027
flat angles C4'-P-C4' energy: -109.562
flat angles P-C4'-P energy: -86.875
tors. eta vs tors. theta energy: 19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -3067.870510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3067.870510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3067.870510 (E_RNA)
where:
Base-Base interactions energy: -2110.015
where: short stacking energy: -872.954
Base-Backbone interact. energy: -2.738
local terms energy: -955.118054
where:
bonds (distance) C4'-P energy: -172.444
bonds (distance) P-C4' energy: -184.345
flat angles C4'-P-C4' energy: -199.502
flat angles P-C4'-P energy: -125.022
tors. eta vs tors. theta energy: -273.805
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: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2972.838463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.838463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.838463 (E_RNA)
where:
Base-Base interactions energy: -2070.942
where: short stacking energy: -833.102
Base-Backbone interact. energy: -2.957
local terms energy: -898.939503
where:
bonds (distance) C4'-P energy: -172.955
bonds (distance) P-C4' energy: -169.710
flat angles C4'-P-C4' energy: -183.851
flat angles P-C4'-P energy: -132.111
tors. eta vs tors. theta energy: -240.312
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: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2699.696151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.696151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.696151 (E_RNA)
where:
Base-Base interactions energy: -1813.297
where: short stacking energy: -807.808
Base-Backbone interact. energy: -0.374
local terms energy: -886.025399
where:
bonds (distance) C4'-P energy: -174.766
bonds (distance) P-C4' energy: -160.827
flat angles C4'-P-C4' energy: -184.643
flat angles P-C4'-P energy: -122.656
tors. eta vs tors. theta energy: -243.133
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: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2687.345906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.345906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.345906 (E_RNA)
where:
Base-Base interactions energy: -1827.263
where: short stacking energy: -761.936
Base-Backbone interact. energy: -1.991
local terms energy: -858.091542
where:
bonds (distance) C4'-P energy: -167.313
bonds (distance) P-C4' energy: -164.294
flat angles C4'-P-C4' energy: -181.939
flat angles P-C4'-P energy: -126.630
tors. eta vs tors. theta energy: -217.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2392.033428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.033428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.033428 (E_RNA)
where:
Base-Base interactions energy: -1543.916
where: short stacking energy: -688.429
Base-Backbone interact. energy: -3.109
local terms energy: -845.008690
where:
bonds (distance) C4'-P energy: -168.500
bonds (distance) P-C4' energy: -162.683
flat angles C4'-P-C4' energy: -196.077
flat angles P-C4'-P energy: -122.819
tors. eta vs tors. theta energy: -194.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2269.123462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.123462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.123462 (E_RNA)
where:
Base-Base interactions energy: -1501.044
where: short stacking energy: -635.958
Base-Backbone interact. energy: 0.253
local terms energy: -768.333350
where:
bonds (distance) C4'-P energy: -146.571
bonds (distance) P-C4' energy: -168.743
flat angles C4'-P-C4' energy: -166.415
flat angles P-C4'-P energy: -117.725
tors. eta vs tors. theta energy: -168.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1902.780421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.780421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.780421 (E_RNA)
where:
Base-Base interactions energy: -1208.800
where: short stacking energy: -542.978
Base-Backbone interact. energy: 7.088
local terms energy: -701.068178
where:
bonds (distance) C4'-P energy: -164.449
bonds (distance) P-C4' energy: -151.131
flat angles C4'-P-C4' energy: -156.442
flat angles P-C4'-P energy: -118.827
tors. eta vs tors. theta energy: -110.220
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1244.129157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.129157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.129157 (E_RNA)
where:
Base-Base interactions energy: -696.465
where: short stacking energy: -342.147
Base-Backbone interact. energy: 4.798
local terms energy: -552.461684
where:
bonds (distance) C4'-P energy: -146.987
bonds (distance) P-C4' energy: -157.656
flat angles C4'-P-C4' energy: -127.016
flat angles P-C4'-P energy: -93.761
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -953.048171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.048171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.048171 (E_RNA)
where:
Base-Base interactions energy: -455.268
where: short stacking energy: -240.551
Base-Backbone interact. energy: -4.094
local terms energy: -493.686241
where:
bonds (distance) C4'-P energy: -148.592
bonds (distance) P-C4' energy: -141.242
flat angles C4'-P-C4' energy: -135.480
flat angles P-C4'-P energy: -79.526
tors. eta vs tors. theta energy: 11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -842.469363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.469363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.469363 (E_RNA)
where:
Base-Base interactions energy: -391.105
where: short stacking energy: -232.698
Base-Backbone interact. energy: 6.324
local terms energy: -457.687971
where:
bonds (distance) C4'-P energy: -139.799
bonds (distance) P-C4' energy: -148.313
flat angles C4'-P-C4' energy: -126.307
flat angles P-C4'-P energy: -64.550
tors. eta vs tors. theta energy: 21.281
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: 344
Temperature: 0.900000
Total energy: -3041.663917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.663917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.663917 (E_RNA)
where:
Base-Base interactions energy: -2059.128
where: short stacking energy: -881.624
Base-Backbone interact. energy: -5.317
local terms energy: -977.218894
where:
bonds (distance) C4'-P energy: -190.181
bonds (distance) P-C4' energy: -181.783
flat angles C4'-P-C4' energy: -197.251
flat angles P-C4'-P energy: -136.679
tors. eta vs tors. theta energy: -271.326
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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2965.110676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.110676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.110676 (E_RNA)
where:
Base-Base interactions energy: -2069.426
where: short stacking energy: -877.012
Base-Backbone interact. energy: -0.156
local terms energy: -895.528451
where:
bonds (distance) C4'-P energy: -160.191
bonds (distance) P-C4' energy: -155.438
flat angles C4'-P-C4' energy: -196.140
flat angles P-C4'-P energy: -124.106
tors. eta vs tors. theta energy: -259.655
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: 344
Temperature: 1.000000
Total energy: -2768.288045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.288045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.288045 (E_RNA)
where:
Base-Base interactions energy: -1908.912
where: short stacking energy: -796.599
Base-Backbone interact. energy: -2.662
local terms energy: -856.713898
where:
bonds (distance) C4'-P energy: -165.612
bonds (distance) P-C4' energy: -156.926
flat angles C4'-P-C4' energy: -191.557
flat angles P-C4'-P energy: -113.268
tors. eta vs tors. theta energy: -229.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2638.300259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.300259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.300259 (E_RNA)
where:
Base-Base interactions energy: -1775.679
where: short stacking energy: -763.217
Base-Backbone interact. energy: 3.620
local terms energy: -866.241430
where:
bonds (distance) C4'-P energy: -159.421
bonds (distance) P-C4' energy: -166.525
flat angles C4'-P-C4' energy: -199.038
flat angles P-C4'-P energy: -115.410
tors. eta vs tors. theta energy: -225.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2431.717748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.717748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.717748 (E_RNA)
where:
Base-Base interactions energy: -1634.101
where: short stacking energy: -712.098
Base-Backbone interact. energy: -3.919
local terms energy: -793.698084
where:
bonds (distance) C4'-P energy: -160.628
bonds (distance) P-C4' energy: -151.551
flat angles C4'-P-C4' energy: -180.033
flat angles P-C4'-P energy: -111.378
tors. eta vs tors. theta energy: -190.108
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2282.748358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.748358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.748358 (E_RNA)
where:
Base-Base interactions energy: -1538.577
where: short stacking energy: -673.970
Base-Backbone interact. energy: -3.545
local terms energy: -740.626325
where:
bonds (distance) C4'-P energy: -143.963
bonds (distance) P-C4' energy: -159.219
flat angles C4'-P-C4' energy: -154.090
flat angles P-C4'-P energy: -89.350
tors. eta vs tors. theta energy: -194.005
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: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1981.214901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.214901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.214901 (E_RNA)
where:
Base-Base interactions energy: -1287.420
where: short stacking energy: -542.686
Base-Backbone interact. energy: -1.805
local terms energy: -691.989384
where:
bonds (distance) C4'-P energy: -158.096
bonds (distance) P-C4' energy: -152.928
flat angles C4'-P-C4' energy: -166.553
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -138.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1313.285044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.285044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.285044 (E_RNA)
where:
Base-Base interactions energy: -734.219
where: short stacking energy: -398.497
Base-Backbone interact. energy: -0.528
local terms energy: -578.537169
where:
bonds (distance) C4'-P energy: -163.377
bonds (distance) P-C4' energy: -136.052
flat angles C4'-P-C4' energy: -144.080
flat angles P-C4'-P energy: -91.489
tors. eta vs tors. theta energy: -43.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1021.734105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.734105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.734105 (E_RNA)
where:
Base-Base interactions energy: -514.019
where: short stacking energy: -294.048
Base-Backbone interact. energy: -2.375
local terms energy: -505.340536
where:
bonds (distance) C4'-P energy: -165.895
bonds (distance) P-C4' energy: -135.440
flat angles C4'-P-C4' energy: -120.286
flat angles P-C4'-P energy: -86.923
tors. eta vs tors. theta energy: 3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -883.909019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.909019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.909019 (E_RNA)
where:
Base-Base interactions energy: -424.227
where: short stacking energy: -246.640
Base-Backbone interact. energy: 3.587
local terms energy: -463.269011
where:
bonds (distance) C4'-P energy: -137.604
bonds (distance) P-C4' energy: -169.247
flat angles C4'-P-C4' energy: -115.648
flat angles P-C4'-P energy: -69.337
tors. eta vs tors. theta energy: 28.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -3054.876744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3054.876744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3054.876744 (E_RNA)
where:
Base-Base interactions energy: -2097.480
where: short stacking energy: -869.701
Base-Backbone interact. energy: -3.873
local terms energy: -953.523356
where:
bonds (distance) C4'-P energy: -190.852
bonds (distance) P-C4' energy: -171.147
flat angles C4'-P-C4' energy: -198.459
flat angles P-C4'-P energy: -132.095
tors. eta vs tors. theta energy: -260.971
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: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2989.815245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.815245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.815245 (E_RNA)
where:
Base-Base interactions energy: -2032.481
where: short stacking energy: -853.014
Base-Backbone interact. energy: -2.472
local terms energy: -954.862424
where:
bonds (distance) C4'-P energy: -172.986
bonds (distance) P-C4' energy: -191.887
flat angles C4'-P-C4' energy: -209.600
flat angles P-C4'-P energy: -133.158
tors. eta vs tors. theta energy: -247.233
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: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2746.690101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.690101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.690101 (E_RNA)
where:
Base-Base interactions energy: -1858.077
where: short stacking energy: -801.535
Base-Backbone interact. energy: 1.788
local terms energy: -890.400884
where:
bonds (distance) C4'-P energy: -150.388
bonds (distance) P-C4' energy: -173.623
flat angles C4'-P-C4' energy: -203.858
flat angles P-C4'-P energy: -134.247
tors. eta vs tors. theta energy: -228.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2610.766168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.766168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.766168 (E_RNA)
where:
Base-Base interactions energy: -1747.146
where: short stacking energy: -766.522
Base-Backbone interact. energy: -4.077
local terms energy: -859.542886
where:
bonds (distance) C4'-P energy: -151.014
bonds (distance) P-C4' energy: -164.233
flat angles C4'-P-C4' energy: -192.719
flat angles P-C4'-P energy: -125.127
tors. eta vs tors. theta energy: -226.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2466.404384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.404384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.404384 (E_RNA)
where:
Base-Base interactions energy: -1661.763
where: short stacking energy: -756.140
Base-Backbone interact. energy: -2.817
local terms energy: -801.824145
where:
bonds (distance) C4'-P energy: -156.261
bonds (distance) P-C4' energy: -164.399
flat angles C4'-P-C4' energy: -164.305
flat angles P-C4'-P energy: -112.605
tors. eta vs tors. theta energy: -204.253
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: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2277.069080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.069080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.069080 (E_RNA)
where:
Base-Base interactions energy: -1520.113
where: short stacking energy: -675.881
Base-Backbone interact. energy: -1.840
local terms energy: -755.116085
where:
bonds (distance) C4'-P energy: -158.142
bonds (distance) P-C4' energy: -165.755
flat angles C4'-P-C4' energy: -157.786
flat angles P-C4'-P energy: -96.894
tors. eta vs tors. theta energy: -176.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1979.428047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.428047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.428047 (E_RNA)
where:
Base-Base interactions energy: -1282.415
where: short stacking energy: -564.026
Base-Backbone interact. energy: 0.012
local terms energy: -697.024940
where:
bonds (distance) C4'-P energy: -150.828
bonds (distance) P-C4' energy: -142.550
flat angles C4'-P-C4' energy: -174.543
flat angles P-C4'-P energy: -104.452
tors. eta vs tors. theta energy: -124.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1367.295732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.295732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.295732 (E_RNA)
where:
Base-Base interactions energy: -786.470
where: short stacking energy: -396.653
Base-Backbone interact. energy: -0.472
local terms energy: -580.353384
where:
bonds (distance) C4'-P energy: -142.982
bonds (distance) P-C4' energy: -163.412
flat angles C4'-P-C4' energy: -129.578
flat angles P-C4'-P energy: -93.473
tors. eta vs tors. theta energy: -50.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -982.969381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.969381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.969381 (E_RNA)
where:
Base-Base interactions energy: -490.704
where: short stacking energy: -306.035
Base-Backbone interact. energy: 1.076
local terms energy: -493.341166
where:
bonds (distance) C4'-P energy: -141.047
bonds (distance) P-C4' energy: -135.589
flat angles C4'-P-C4' energy: -134.808
flat angles P-C4'-P energy: -76.396
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -824.602317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.602317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.602317 (E_RNA)
where:
Base-Base interactions energy: -355.384
where: short stacking energy: -237.118
Base-Backbone interact. energy: 5.776
local terms energy: -474.994413
where:
bonds (distance) C4'-P energy: -134.910
bonds (distance) P-C4' energy: -137.088
flat angles C4'-P-C4' energy: -143.170
flat angles P-C4'-P energy: -75.276
tors. eta vs tors. theta energy: 15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -3056.981527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.981527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.981527 (E_RNA)
where:
Base-Base interactions energy: -2084.181
where: short stacking energy: -892.462
Base-Backbone interact. energy: -4.538
local terms energy: -968.262293
where:
bonds (distance) C4'-P energy: -161.660
bonds (distance) P-C4' energy: -184.886
flat angles C4'-P-C4' energy: -199.051
flat angles P-C4'-P energy: -143.959
tors. eta vs tors. theta energy: -278.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -3012.642100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.642100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.642100 (E_RNA)
where:
Base-Base interactions energy: -2071.653
where: short stacking energy: -856.349
Base-Backbone interact. energy: -2.809
local terms energy: -938.179896
where:
bonds (distance) C4'-P energy: -190.100
bonds (distance) P-C4' energy: -168.304
flat angles C4'-P-C4' energy: -200.595
flat angles P-C4'-P energy: -127.514
tors. eta vs tors. theta energy: -251.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2746.093832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.093832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.093832 (E_RNA)
where:
Base-Base interactions energy: -1866.474
where: short stacking energy: -785.552
Base-Backbone interact. energy: -0.780
local terms energy: -878.839701
where:
bonds (distance) C4'-P energy: -157.280
bonds (distance) P-C4' energy: -158.122
flat angles C4'-P-C4' energy: -211.988
flat angles P-C4'-P energy: -128.113
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: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2626.844555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.844555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.844555 (E_RNA)
where:
Base-Base interactions energy: -1751.529
where: short stacking energy: -760.422
Base-Backbone interact. energy: -1.553
local terms energy: -873.762697
where:
bonds (distance) C4'-P energy: -161.443
bonds (distance) P-C4' energy: -164.210
flat angles C4'-P-C4' energy: -175.354
flat angles P-C4'-P energy: -141.104
tors. eta vs tors. theta energy: -231.652
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2384.407410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.407410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.407410 (E_RNA)
where:
Base-Base interactions energy: -1611.117
where: short stacking energy: -696.433
Base-Backbone interact. energy: -1.904
local terms energy: -771.387049
where:
bonds (distance) C4'-P energy: -138.037
bonds (distance) P-C4' energy: -163.671
flat angles C4'-P-C4' energy: -177.698
flat angles P-C4'-P energy: -112.600
tors. eta vs tors. theta energy: -179.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2335.168512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.168512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.168512 (E_RNA)
where:
Base-Base interactions energy: -1587.506
where: short stacking energy: -702.387
Base-Backbone interact. energy: -2.417
local terms energy: -745.246266
where:
bonds (distance) C4'-P energy: -158.382
bonds (distance) P-C4' energy: -149.899
flat angles C4'-P-C4' energy: -166.810
flat angles P-C4'-P energy: -86.840
tors. eta vs tors. theta energy: -183.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1974.968566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.968566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.968566 (E_RNA)
where:
Base-Base interactions energy: -1253.047
where: short stacking energy: -548.813
Base-Backbone interact. energy: -0.963
local terms energy: -720.957759
where:
bonds (distance) C4'-P energy: -151.850
bonds (distance) P-C4' energy: -174.380
flat angles C4'-P-C4' energy: -155.998
flat angles P-C4'-P energy: -97.329
tors. eta vs tors. theta energy: -141.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1318.580397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.580397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.580397 (E_RNA)
where:
Base-Base interactions energy: -757.119
where: short stacking energy: -395.099
Base-Backbone interact. energy: 10.289
local terms energy: -571.750201
where:
bonds (distance) C4'-P energy: -130.391
bonds (distance) P-C4' energy: -158.328
flat angles C4'-P-C4' energy: -144.559
flat angles P-C4'-P energy: -83.748
tors. eta vs tors. theta energy: -54.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1007.739778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.739778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.739778 (E_RNA)
where:
Base-Base interactions energy: -495.085
where: short stacking energy: -277.241
Base-Backbone interact. energy: 3.977
local terms energy: -516.631641
where:
bonds (distance) C4'-P energy: -129.571
bonds (distance) P-C4' energy: -141.766
flat angles C4'-P-C4' energy: -160.449
flat angles P-C4'-P energy: -77.569
tors. eta vs tors. theta energy: -7.277
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: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -813.545934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.545934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.545934 (E_RNA)
where:
Base-Base interactions energy: -346.284
where: short stacking energy: -226.266
Base-Backbone interact. energy: -1.350
local terms energy: -465.912251
where:
bonds (distance) C4'-P energy: -147.436
bonds (distance) P-C4' energy: -152.879
flat angles C4'-P-C4' energy: -117.692
flat angles P-C4'-P energy: -74.041
tors. eta vs tors. theta energy: 26.135
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: 347
Temperature: 0.900000
Total energy: -3085.856846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3085.856846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3085.856846 (E_RNA)
where:
Base-Base interactions energy: -2082.569
where: short stacking energy: -871.518
Base-Backbone interact. energy: -3.130
local terms energy: -1000.157728
where:
bonds (distance) C4'-P energy: -185.863
bonds (distance) P-C4' energy: -194.628
flat angles C4'-P-C4' energy: -204.253
flat angles P-C4'-P energy: -137.254
tors. eta vs tors. theta energy: -278.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -3023.590224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3023.590224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3023.590224 (E_RNA)
where:
Base-Base interactions energy: -2085.049
where: short stacking energy: -881.894
Base-Backbone interact. energy: 8.538
local terms energy: -947.079090
where:
bonds (distance) C4'-P energy: -162.795
bonds (distance) P-C4' energy: -187.244
flat angles C4'-P-C4' energy: -199.316
flat angles P-C4'-P energy: -139.499
tors. eta vs tors. theta energy: -258.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2722.382198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.382198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.382198 (E_RNA)
where:
Base-Base interactions energy: -1881.059
where: short stacking energy: -778.981
Base-Backbone interact. energy: -0.089
local terms energy: -841.233782
where:
bonds (distance) C4'-P energy: -148.809
bonds (distance) P-C4' energy: -177.401
flat angles C4'-P-C4' energy: -188.583
flat angles P-C4'-P energy: -115.047
tors. eta vs tors. theta energy: -211.393
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: 347
Temperature: 1.050000
Total energy: -2710.847406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.847406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.847406 (E_RNA)
where:
Base-Base interactions energy: -1811.508
where: short stacking energy: -801.649
Base-Backbone interact. energy: -3.854
local terms energy: -895.485298
where:
bonds (distance) C4'-P energy: -183.302
bonds (distance) P-C4' energy: -176.991
flat angles C4'-P-C4' energy: -188.239
flat angles P-C4'-P energy: -109.550
tors. eta vs tors. theta energy: -237.403
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2432.128219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.128219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.128219 (E_RNA)
where:
Base-Base interactions energy: -1637.234
where: short stacking energy: -709.186
Base-Backbone interact. energy: -4.121
local terms energy: -790.772962
where:
bonds (distance) C4'-P energy: -142.112
bonds (distance) P-C4' energy: -168.143
flat angles C4'-P-C4' energy: -173.910
flat angles P-C4'-P energy: -110.969
tors. eta vs tors. theta energy: -195.639
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2260.106678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.106678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.106678 (E_RNA)
where:
Base-Base interactions energy: -1503.595
where: short stacking energy: -667.154
Base-Backbone interact. energy: 6.109
local terms energy: -762.620453
where:
bonds (distance) C4'-P energy: -144.254
bonds (distance) P-C4' energy: -154.966
flat angles C4'-P-C4' energy: -178.315
flat angles P-C4'-P energy: -109.756
tors. eta vs tors. theta energy: -175.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1917.163015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.163015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.163015 (E_RNA)
where:
Base-Base interactions energy: -1234.022
where: short stacking energy: -526.742
Base-Backbone interact. energy: -6.580
local terms energy: -676.561012
where:
bonds (distance) C4'-P energy: -142.978
bonds (distance) P-C4' energy: -159.955
flat angles C4'-P-C4' energy: -157.798
flat angles P-C4'-P energy: -93.791
tors. eta vs tors. theta energy: -122.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1283.808093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.808093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.808093 (E_RNA)
where:
Base-Base interactions energy: -703.637
where: short stacking energy: -380.967
Base-Backbone interact. energy: 1.829
local terms energy: -582.000085
where:
bonds (distance) C4'-P energy: -131.297
bonds (distance) P-C4' energy: -181.680
flat angles C4'-P-C4' energy: -146.128
flat angles P-C4'-P energy: -70.510
tors. eta vs tors. theta energy: -52.384
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: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -992.628489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.628489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.628489 (E_RNA)
where:
Base-Base interactions energy: -522.411
where: short stacking energy: -265.974
Base-Backbone interact. energy: 1.496
local terms energy: -471.713232
where:
bonds (distance) C4'-P energy: -134.649
bonds (distance) P-C4' energy: -139.425
flat angles C4'-P-C4' energy: -119.088
flat angles P-C4'-P energy: -76.828
tors. eta vs tors. theta energy: -1.722
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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -842.972943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.972943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.972943 (E_RNA)
where:
Base-Base interactions energy: -400.983
where: short stacking energy: -252.573
Base-Backbone interact. energy: 7.806
local terms energy: -449.795943
where:
bonds (distance) C4'-P energy: -126.864
bonds (distance) P-C4' energy: -141.967
flat angles C4'-P-C4' energy: -119.775
flat angles P-C4'-P energy: -83.142
tors. eta vs tors. theta energy: 21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -3064.741660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3064.741660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3064.741660 (E_RNA)
where:
Base-Base interactions energy: -2090.329
where: short stacking energy: -878.155
Base-Backbone interact. energy: -6.237
local terms energy: -968.175453
where:
bonds (distance) C4'-P energy: -176.683
bonds (distance) P-C4' energy: -194.104
flat angles C4'-P-C4' energy: -199.093
flat angles P-C4'-P energy: -135.758
tors. eta vs tors. theta energy: -262.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2994.598373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.598373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.598373 (E_RNA)
where:
Base-Base interactions energy: -2072.323
where: short stacking energy: -881.451
Base-Backbone interact. energy: 1.475
local terms energy: -923.750446
where:
bonds (distance) C4'-P energy: -162.133
bonds (distance) P-C4' energy: -184.462
flat angles C4'-P-C4' energy: -206.672
flat angles P-C4'-P energy: -120.886
tors. eta vs tors. theta energy: -249.598
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: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2724.545176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.545176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.545176 (E_RNA)
where:
Base-Base interactions energy: -1846.797
where: short stacking energy: -818.481
Base-Backbone interact. energy: 0.865
local terms energy: -878.613867
where:
bonds (distance) C4'-P energy: -166.738
bonds (distance) P-C4' energy: -156.674
flat angles C4'-P-C4' energy: -207.005
flat angles P-C4'-P energy: -108.061
tors. eta vs tors. theta energy: -240.137
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: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2618.783886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.783886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.783886 (E_RNA)
where:
Base-Base interactions energy: -1778.998
where: short stacking energy: -714.419
Base-Backbone interact. energy: 3.671
local terms energy: -843.457009
where:
bonds (distance) C4'-P energy: -168.903
bonds (distance) P-C4' energy: -176.397
flat angles C4'-P-C4' energy: -192.254
flat angles P-C4'-P energy: -101.584
tors. eta vs tors. theta energy: -204.319
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: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2349.752619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.752619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.752619 (E_RNA)
where:
Base-Base interactions energy: -1588.232
where: short stacking energy: -691.435
Base-Backbone interact. energy: -4.397
local terms energy: -757.124293
where:
bonds (distance) C4'-P energy: -140.917
bonds (distance) P-C4' energy: -154.133
flat angles C4'-P-C4' energy: -189.206
flat angles P-C4'-P energy: -104.279
tors. eta vs tors. theta energy: -168.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2229.058372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.058372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.058372 (E_RNA)
where:
Base-Base interactions energy: -1483.717
where: short stacking energy: -620.574
Base-Backbone interact. energy: 0.719
local terms energy: -746.060486
where:
bonds (distance) C4'-P energy: -138.706
bonds (distance) P-C4' energy: -160.275
flat angles C4'-P-C4' energy: -167.510
flat angles P-C4'-P energy: -111.858
tors. eta vs tors. theta energy: -167.712
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: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1921.172500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.172500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.172500 (E_RNA)
where:
Base-Base interactions energy: -1261.394
where: short stacking energy: -561.636
Base-Backbone interact. energy: 2.993
local terms energy: -662.771075
where:
bonds (distance) C4'-P energy: -141.455
bonds (distance) P-C4' energy: -144.518
flat angles C4'-P-C4' energy: -165.859
flat angles P-C4'-P energy: -97.140
tors. eta vs tors. theta energy: -113.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1258.093761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.093761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.093761 (E_RNA)
where:
Base-Base interactions energy: -670.212
where: short stacking energy: -302.343
Base-Backbone interact. energy: 3.621
local terms energy: -591.502888
where:
bonds (distance) C4'-P energy: -161.658
bonds (distance) P-C4' energy: -153.558
flat angles C4'-P-C4' energy: -159.469
flat angles P-C4'-P energy: -104.337
tors. eta vs tors. theta energy: -12.481
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -985.150002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.150002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.150002 (E_RNA)
where:
Base-Base interactions energy: -466.175
where: short stacking energy: -259.189
Base-Backbone interact. energy: -3.223
local terms energy: -515.752287
where:
bonds (distance) C4'-P energy: -144.435
bonds (distance) P-C4' energy: -164.989
flat angles C4'-P-C4' energy: -137.158
flat angles P-C4'-P energy: -82.701
tors. eta vs tors. theta energy: 13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -851.011821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.011821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.011821 (E_RNA)
where:
Base-Base interactions energy: -395.580
where: short stacking energy: -215.270
Base-Backbone interact. energy: 8.468
local terms energy: -463.899566
where:
bonds (distance) C4'-P energy: -145.793
bonds (distance) P-C4' energy: -149.749
flat angles C4'-P-C4' energy: -127.033
flat angles P-C4'-P energy: -61.953
tors. eta vs tors. theta energy: 20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -3048.831606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3048.831606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3048.831606 (E_RNA)
where:
Base-Base interactions energy: -2089.463
where: short stacking energy: -875.766
Base-Backbone interact. energy: -4.364
local terms energy: -955.004720
where:
bonds (distance) C4'-P energy: -171.659
bonds (distance) P-C4' energy: -166.395
flat angles C4'-P-C4' energy: -206.761
flat angles P-C4'-P energy: -140.156
tors. eta vs tors. theta energy: -270.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -3010.305825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.305825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.305825 (E_RNA)
where:
Base-Base interactions energy: -2102.244
where: short stacking energy: -873.562
Base-Backbone interact. energy: 2.693
local terms energy: -910.755101
where:
bonds (distance) C4'-P energy: -166.744
bonds (distance) P-C4' energy: -173.299
flat angles C4'-P-C4' energy: -202.067
flat angles P-C4'-P energy: -120.382
tors. eta vs tors. theta energy: -248.264
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: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2716.376829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.376829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.376829 (E_RNA)
where:
Base-Base interactions energy: -1825.865
where: short stacking energy: -808.536
Base-Backbone interact. energy: 1.929
local terms energy: -892.440468
where:
bonds (distance) C4'-P energy: -172.053
bonds (distance) P-C4' energy: -169.581
flat angles C4'-P-C4' energy: -182.824
flat angles P-C4'-P energy: -116.654
tors. eta vs tors. theta energy: -251.329
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: 349
Temperature: 1.050000
Total energy: -2649.105597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.105597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.105597 (E_RNA)
where:
Base-Base interactions energy: -1799.260
where: short stacking energy: -740.125
Base-Backbone interact. energy: 5.454
local terms energy: -855.299684
where:
bonds (distance) C4'-P energy: -168.108
bonds (distance) P-C4' energy: -166.058
flat angles C4'-P-C4' energy: -204.170
flat angles P-C4'-P energy: -112.582
tors. eta vs tors. theta energy: -204.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2370.596658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.596658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.596658 (E_RNA)
where:
Base-Base interactions energy: -1584.389
where: short stacking energy: -654.825
Base-Backbone interact. energy: 2.469
local terms energy: -788.676980
where:
bonds (distance) C4'-P energy: -153.581
bonds (distance) P-C4' energy: -176.641
flat angles C4'-P-C4' energy: -172.356
flat angles P-C4'-P energy: -102.224
tors. eta vs tors. theta energy: -183.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2256.771493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.771493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.771493 (E_RNA)
where:
Base-Base interactions energy: -1493.114
where: short stacking energy: -638.879
Base-Backbone interact. energy: 0.835
local terms energy: -764.492403
where:
bonds (distance) C4'-P energy: -152.632
bonds (distance) P-C4' energy: -158.195
flat angles C4'-P-C4' energy: -174.973
flat angles P-C4'-P energy: -102.562
tors. eta vs tors. theta energy: -176.131
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: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1995.386769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.386769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.386769 (E_RNA)
where:
Base-Base interactions energy: -1303.175
where: short stacking energy: -575.166
Base-Backbone interact. energy: -3.841
local terms energy: -688.370969
where:
bonds (distance) C4'-P energy: -154.398
bonds (distance) P-C4' energy: -173.877
flat angles C4'-P-C4' energy: -169.709
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -127.829
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: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1216.403076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.403076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.403076 (E_RNA)
where:
Base-Base interactions energy: -693.133
where: short stacking energy: -362.529
Base-Backbone interact. energy: 4.771
local terms energy: -528.041112
where:
bonds (distance) C4'-P energy: -144.451
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -133.972
flat angles P-C4'-P energy: -79.315
tors. eta vs tors. theta energy: -23.443
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: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1000.630188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.630188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.630188 (E_RNA)
where:
Base-Base interactions energy: -489.661
where: short stacking energy: -279.369
Base-Backbone interact. energy: 0.878
local terms energy: -511.847068
where:
bonds (distance) C4'-P energy: -158.670
bonds (distance) P-C4' energy: -152.624
flat angles C4'-P-C4' energy: -134.788
flat angles P-C4'-P energy: -67.278
tors. eta vs tors. theta energy: 1.514
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: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -875.686813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.686813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.686813 (E_RNA)
where:
Base-Base interactions energy: -429.798
where: short stacking energy: -256.129
Base-Backbone interact. energy: 1.343
local terms energy: -447.232005
where:
bonds (distance) C4'-P energy: -164.762
bonds (distance) P-C4' energy: -133.841
flat angles C4'-P-C4' energy: -109.607
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: 2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -3071.231462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3071.231462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3071.231462 (E_RNA)
where:
Base-Base interactions energy: -2093.979
where: short stacking energy: -881.590
Base-Backbone interact. energy: -5.685
local terms energy: -971.567711
where:
bonds (distance) C4'-P energy: -172.495
bonds (distance) P-C4' energy: -177.787
flat angles C4'-P-C4' energy: -210.245
flat angles P-C4'-P energy: -136.881
tors. eta vs tors. theta energy: -274.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2974.261701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.261701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.261701 (E_RNA)
where:
Base-Base interactions energy: -2040.604
where: short stacking energy: -865.627
Base-Backbone interact. energy: 0.345
local terms energy: -934.002470
where:
bonds (distance) C4'-P energy: -186.369
bonds (distance) P-C4' energy: -166.571
flat angles C4'-P-C4' energy: -201.934
flat angles P-C4'-P energy: -125.320
tors. eta vs tors. theta energy: -253.809
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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2701.830543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.830543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.830543 (E_RNA)
where:
Base-Base interactions energy: -1823.964
where: short stacking energy: -801.024
Base-Backbone interact. energy: 1.611
local terms energy: -879.477391
where:
bonds (distance) C4'-P energy: -163.149
bonds (distance) P-C4' energy: -159.138
flat angles C4'-P-C4' energy: -201.667
flat angles P-C4'-P energy: -117.972
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: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2633.064264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.064264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.064264 (E_RNA)
where:
Base-Base interactions energy: -1799.247
where: short stacking energy: -739.723
Base-Backbone interact. energy: 3.730
local terms energy: -837.547357
where:
bonds (distance) C4'-P energy: -164.308
bonds (distance) P-C4' energy: -172.461
flat angles C4'-P-C4' energy: -190.970
flat angles P-C4'-P energy: -107.181
tors. eta vs tors. theta energy: -202.627
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: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2384.921358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.921358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.921358 (E_RNA)
where:
Base-Base interactions energy: -1603.234
where: short stacking energy: -675.819
Base-Backbone interact. energy: -0.754
local terms energy: -780.933715
where:
bonds (distance) C4'-P energy: -155.847
bonds (distance) P-C4' energy: -161.078
flat angles C4'-P-C4' energy: -172.450
flat angles P-C4'-P energy: -112.599
tors. eta vs tors. theta energy: -178.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2224.223826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.223826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.223826 (E_RNA)
where:
Base-Base interactions energy: -1484.420
where: short stacking energy: -635.300
Base-Backbone interact. energy: -7.000
local terms energy: -732.803876
where:
bonds (distance) C4'-P energy: -158.305
bonds (distance) P-C4' energy: -153.375
flat angles C4'-P-C4' energy: -161.048
flat angles P-C4'-P energy: -93.525
tors. eta vs tors. theta energy: -166.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1844.626806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.626806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.626806 (E_RNA)
where:
Base-Base interactions energy: -1172.555
where: short stacking energy: -513.131
Base-Backbone interact. energy: 0.166
local terms energy: -672.237279
where:
bonds (distance) C4'-P energy: -144.166
bonds (distance) P-C4' energy: -155.546
flat angles C4'-P-C4' energy: -165.396
flat angles P-C4'-P energy: -94.629
tors. eta vs tors. theta energy: -112.500
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: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1208.030071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.030071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.030071 (E_RNA)
where:
Base-Base interactions energy: -656.199
where: short stacking energy: -326.586
Base-Backbone interact. energy: -3.091
local terms energy: -548.739893
where:
bonds (distance) C4'-P energy: -147.687
bonds (distance) P-C4' energy: -149.588
flat angles C4'-P-C4' energy: -135.037
flat angles P-C4'-P energy: -84.839
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -996.550291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.550291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.550291 (E_RNA)
where:
Base-Base interactions energy: -451.816
where: short stacking energy: -268.115
Base-Backbone interact. energy: 3.423
local terms energy: -548.157798
where:
bonds (distance) C4'-P energy: -137.918
bonds (distance) P-C4' energy: -152.421
flat angles C4'-P-C4' energy: -148.502
flat angles P-C4'-P energy: -94.282
tors. eta vs tors. theta energy: -15.033
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: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -874.628144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.628144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.628144 (E_RNA)
where:
Base-Base interactions energy: -426.660
where: short stacking energy: -220.996
Base-Backbone interact. energy: 9.698
local terms energy: -457.666466
where:
bonds (distance) C4'-P energy: -149.060
bonds (distance) P-C4' energy: -159.753
flat angles C4'-P-C4' energy: -98.344
flat angles P-C4'-P energy: -71.123
tors. eta vs tors. theta energy: 20.614
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: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -3097.127659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3097.127659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3097.127659 (E_RNA)
where:
Base-Base interactions energy: -2121.034
where: short stacking energy: -910.492
Base-Backbone interact. energy: -3.169
local terms energy: -972.925029
where:
bonds (distance) C4'-P energy: -173.205
bonds (distance) P-C4' energy: -175.388
flat angles C4'-P-C4' energy: -206.968
flat angles P-C4'-P energy: -144.342
tors. eta vs tors. theta energy: -273.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -3028.220175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.220175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.220175 (E_RNA)
where:
Base-Base interactions energy: -2097.957
where: short stacking energy: -870.616
Base-Backbone interact. energy: -5.010
local terms energy: -925.253379
where:
bonds (distance) C4'-P energy: -183.405
bonds (distance) P-C4' energy: -162.058
flat angles C4'-P-C4' energy: -193.728
flat angles P-C4'-P energy: -136.699
tors. eta vs tors. theta energy: -249.364
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: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2712.911516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.911516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.911516 (E_RNA)
where:
Base-Base interactions energy: -1793.703
where: short stacking energy: -775.673
Base-Backbone interact. energy: -2.953
local terms energy: -916.255060
where:
bonds (distance) C4'-P energy: -167.927
bonds (distance) P-C4' energy: -184.645
flat angles C4'-P-C4' energy: -195.436
flat angles P-C4'-P energy: -133.434
tors. eta vs tors. theta energy: -234.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2642.516679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.516679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.516679 (E_RNA)
where:
Base-Base interactions energy: -1793.712
where: short stacking energy: -762.103
Base-Backbone interact. energy: -1.931
local terms energy: -846.873693
where:
bonds (distance) C4'-P energy: -159.756
bonds (distance) P-C4' energy: -172.843
flat angles C4'-P-C4' energy: -195.422
flat angles P-C4'-P energy: -100.135
tors. eta vs tors. theta energy: -218.718
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: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2370.266093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.266093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.266093 (E_RNA)
where:
Base-Base interactions energy: -1578.531
where: short stacking energy: -667.759
Base-Backbone interact. energy: -3.909
local terms energy: -787.826351
where:
bonds (distance) C4'-P energy: -155.457
bonds (distance) P-C4' energy: -159.009
flat angles C4'-P-C4' energy: -176.014
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -196.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2243.417827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.417827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.417827 (E_RNA)
where:
Base-Base interactions energy: -1501.563
where: short stacking energy: -635.719
Base-Backbone interact. energy: 1.656
local terms energy: -743.510213
where:
bonds (distance) C4'-P energy: -140.791
bonds (distance) P-C4' energy: -167.698
flat angles C4'-P-C4' energy: -164.813
flat angles P-C4'-P energy: -104.486
tors. eta vs tors. theta energy: -165.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1920.711846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.711846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.711846 (E_RNA)
where:
Base-Base interactions energy: -1259.341
where: short stacking energy: -570.306
Base-Backbone interact. energy: 0.389
local terms energy: -661.759936
where:
bonds (distance) C4'-P energy: -129.782
bonds (distance) P-C4' energy: -152.464
flat angles C4'-P-C4' energy: -155.935
flat angles P-C4'-P energy: -96.691
tors. eta vs tors. theta energy: -126.888
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: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1241.733045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.733045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.733045 (E_RNA)
where:
Base-Base interactions energy: -698.396
where: short stacking energy: -369.314
Base-Backbone interact. energy: 6.659
local terms energy: -549.996062
where:
bonds (distance) C4'-P energy: -140.065
bonds (distance) P-C4' energy: -171.911
flat angles C4'-P-C4' energy: -130.953
flat angles P-C4'-P energy: -78.572
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1093.943833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.943833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.943833 (E_RNA)
where:
Base-Base interactions energy: -581.268
where: short stacking energy: -316.465
Base-Backbone interact. energy: 2.780
local terms energy: -515.456180
where:
bonds (distance) C4'-P energy: -146.219
bonds (distance) P-C4' energy: -131.737
flat angles C4'-P-C4' energy: -142.945
flat angles P-C4'-P energy: -79.479
tors. eta vs tors. theta energy: -15.077
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: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -795.539288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.539288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.539288 (E_RNA)
where:
Base-Base interactions energy: -366.335
where: short stacking energy: -204.219
Base-Backbone interact. energy: 11.238
local terms energy: -440.442049
where:
bonds (distance) C4'-P energy: -150.311
bonds (distance) P-C4' energy: -137.207
flat angles C4'-P-C4' energy: -112.566
flat angles P-C4'-P energy: -80.998
tors. eta vs tors. theta energy: 40.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -3080.863597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3080.863597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3080.863597 (E_RNA)
where:
Base-Base interactions energy: -2089.966
where: short stacking energy: -903.908
Base-Backbone interact. energy: -7.751
local terms energy: -983.146739
where:
bonds (distance) C4'-P energy: -178.691
bonds (distance) P-C4' energy: -187.559
flat angles C4'-P-C4' energy: -214.943
flat angles P-C4'-P energy: -128.664
tors. eta vs tors. theta energy: -273.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -3008.241518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.241518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.241518 (E_RNA)
where:
Base-Base interactions energy: -2089.768
where: short stacking energy: -849.884
Base-Backbone interact. energy: -2.934
local terms energy: -915.539469
where:
bonds (distance) C4'-P energy: -175.963
bonds (distance) P-C4' energy: -168.813
flat angles C4'-P-C4' energy: -188.000
flat angles P-C4'-P energy: -139.580
tors. eta vs tors. theta energy: -243.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2723.602917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.602917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.602917 (E_RNA)
where:
Base-Base interactions energy: -1805.804
where: short stacking energy: -803.036
Base-Backbone interact. energy: 1.479
local terms energy: -919.276976
where:
bonds (distance) C4'-P energy: -185.846
bonds (distance) P-C4' energy: -171.148
flat angles C4'-P-C4' energy: -196.652
flat angles P-C4'-P energy: -129.524
tors. eta vs tors. theta energy: -236.107
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: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2638.110179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.110179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.110179 (E_RNA)
where:
Base-Base interactions energy: -1808.642
where: short stacking energy: -739.521
Base-Backbone interact. energy: 1.293
local terms energy: -830.761698
where:
bonds (distance) C4'-P energy: -162.136
bonds (distance) P-C4' energy: -169.487
flat angles C4'-P-C4' energy: -182.363
flat angles P-C4'-P energy: -108.600
tors. eta vs tors. theta energy: -208.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2346.229015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.229015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.229015 (E_RNA)
where:
Base-Base interactions energy: -1540.661
where: short stacking energy: -672.323
Base-Backbone interact. energy: -1.166
local terms energy: -804.401123
where:
bonds (distance) C4'-P energy: -163.260
bonds (distance) P-C4' energy: -163.780
flat angles C4'-P-C4' energy: -188.540
flat angles P-C4'-P energy: -116.276
tors. eta vs tors. theta energy: -172.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2144.705174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.705174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.705174 (E_RNA)
where:
Base-Base interactions energy: -1399.983
where: short stacking energy: -623.031
Base-Backbone interact. energy: -1.061
local terms energy: -743.660906
where:
bonds (distance) C4'-P energy: -156.030
bonds (distance) P-C4' energy: -157.153
flat angles C4'-P-C4' energy: -170.798
flat angles P-C4'-P energy: -107.735
tors. eta vs tors. theta energy: -151.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1930.405993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.405993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.405993 (E_RNA)
where:
Base-Base interactions energy: -1235.269
where: short stacking energy: -518.352
Base-Backbone interact. energy: -1.574
local terms energy: -693.562615
where:
bonds (distance) C4'-P energy: -176.496
bonds (distance) P-C4' energy: -162.986
flat angles C4'-P-C4' energy: -158.773
flat angles P-C4'-P energy: -96.077
tors. eta vs tors. theta energy: -99.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1333.677134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.677134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.677134 (E_RNA)
where:
Base-Base interactions energy: -744.044
where: short stacking energy: -373.181
Base-Backbone interact. energy: 2.872
local terms energy: -592.505156
where:
bonds (distance) C4'-P energy: -163.774
bonds (distance) P-C4' energy: -152.652
flat angles C4'-P-C4' energy: -133.666
flat angles P-C4'-P energy: -90.340
tors. eta vs tors. theta energy: -52.073
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1056.887260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.887260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.887260 (E_RNA)
where:
Base-Base interactions energy: -583.465
where: short stacking energy: -282.054
Base-Backbone interact. energy: -1.167
local terms energy: -472.254776
where:
bonds (distance) C4'-P energy: -134.136
bonds (distance) P-C4' energy: -153.116
flat angles C4'-P-C4' energy: -113.447
flat angles P-C4'-P energy: -84.260
tors. eta vs tors. theta energy: 12.703
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: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -731.941680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.941680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.941680 (E_RNA)
where:
Base-Base interactions energy: -272.569
where: short stacking energy: -174.692
Base-Backbone interact. energy: -0.143
local terms energy: -459.230260
where:
bonds (distance) C4'-P energy: -155.357
bonds (distance) P-C4' energy: -151.693
flat angles C4'-P-C4' energy: -122.576
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: 22.400
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: 353
Temperature: 0.900000
Total energy: -3116.067646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3116.067646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3116.067646 (E_RNA)
where:
Base-Base interactions energy: -2104.569
where: short stacking energy: -906.719
Base-Backbone interact. energy: -8.624
local terms energy: -1002.874356
where:
bonds (distance) C4'-P energy: -186.374
bonds (distance) P-C4' energy: -181.092
flat angles C4'-P-C4' energy: -206.398
flat angles P-C4'-P energy: -141.396
tors. eta vs tors. theta energy: -287.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -3023.704555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3023.704555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3023.704555 (E_RNA)
where:
Base-Base interactions energy: -2073.872
where: short stacking energy: -856.850
Base-Backbone interact. energy: 0.941
local terms energy: -950.773868
where:
bonds (distance) C4'-P energy: -174.550
bonds (distance) P-C4' energy: -186.584
flat angles C4'-P-C4' energy: -197.154
flat angles P-C4'-P energy: -145.628
tors. eta vs tors. theta energy: -246.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2749.613613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.613613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.613613 (E_RNA)
where:
Base-Base interactions energy: -1848.670
where: short stacking energy: -830.214
Base-Backbone interact. energy: -1.854
local terms energy: -899.090197
where:
bonds (distance) C4'-P energy: -164.462
bonds (distance) P-C4' energy: -173.638
flat angles C4'-P-C4' energy: -192.275
flat angles P-C4'-P energy: -123.371
tors. eta vs tors. theta energy: -245.345
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: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2732.131748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.131748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.131748 (E_RNA)
where:
Base-Base interactions energy: -1865.303
where: short stacking energy: -775.240
Base-Backbone interact. energy: -2.927
local terms energy: -863.901454
where:
bonds (distance) C4'-P energy: -171.991
bonds (distance) P-C4' energy: -168.195
flat angles C4'-P-C4' energy: -194.675
flat angles P-C4'-P energy: -106.567
tors. eta vs tors. theta energy: -222.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2358.940701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.940701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.940701 (E_RNA)
where:
Base-Base interactions energy: -1553.454
where: short stacking energy: -654.659
Base-Backbone interact. energy: -4.119
local terms energy: -801.367155
where:
bonds (distance) C4'-P energy: -150.897
bonds (distance) P-C4' energy: -172.260
flat angles C4'-P-C4' energy: -183.468
flat angles P-C4'-P energy: -114.122
tors. eta vs tors. theta energy: -180.619
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: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2236.581607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.581607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.581607 (E_RNA)
where:
Base-Base interactions energy: -1479.968
where: short stacking energy: -632.826
Base-Backbone interact. energy: -7.677
local terms energy: -748.936959
where:
bonds (distance) C4'-P energy: -159.507
bonds (distance) P-C4' energy: -153.602
flat angles C4'-P-C4' energy: -152.960
flat angles P-C4'-P energy: -110.741
tors. eta vs tors. theta energy: -172.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1905.923244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.923244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.923244 (E_RNA)
where:
Base-Base interactions energy: -1239.895
where: short stacking energy: -546.155
Base-Backbone interact. energy: 2.362
local terms energy: -668.389996
where:
bonds (distance) C4'-P energy: -138.296
bonds (distance) P-C4' energy: -159.161
flat angles C4'-P-C4' energy: -156.684
flat angles P-C4'-P energy: -101.794
tors. eta vs tors. theta energy: -112.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1304.821798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.821798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.821798 (E_RNA)
where:
Base-Base interactions energy: -746.076
where: short stacking energy: -383.291
Base-Backbone interact. energy: -5.882
local terms energy: -552.864567
where:
bonds (distance) C4'-P energy: -121.377
bonds (distance) P-C4' energy: -175.400
flat angles C4'-P-C4' energy: -141.705
flat angles P-C4'-P energy: -81.336
tors. eta vs tors. theta energy: -33.047
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: 353
Temperature: 1.300000
Total energy: -1048.432733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.432733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.432733 (E_RNA)
where:
Base-Base interactions energy: -509.984
where: short stacking energy: -305.921
Base-Backbone interact. energy: -1.567
local terms energy: -536.881331
where:
bonds (distance) C4'-P energy: -162.543
bonds (distance) P-C4' energy: -159.810
flat angles C4'-P-C4' energy: -111.495
flat angles P-C4'-P energy: -90.069
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -730.728909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.728909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.728909 (E_RNA)
where:
Base-Base interactions energy: -330.749
where: short stacking energy: -223.995
Base-Backbone interact. energy: 10.109
local terms energy: -410.088216
where:
bonds (distance) C4'-P energy: -114.604
bonds (distance) P-C4' energy: -153.711
flat angles C4'-P-C4' energy: -100.911
flat angles P-C4'-P energy: -63.865
tors. eta vs tors. theta energy: 23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -3121.995598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3121.995598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3121.995598 (E_RNA)
where:
Base-Base interactions energy: -2129.475
where: short stacking energy: -927.545
Base-Backbone interact. energy: -4.141
local terms energy: -988.379822
where:
bonds (distance) C4'-P energy: -194.552
bonds (distance) P-C4' energy: -186.444
flat angles C4'-P-C4' energy: -197.208
flat angles P-C4'-P energy: -138.984
tors. eta vs tors. theta energy: -271.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -3022.709328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.709328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.709328 (E_RNA)
where:
Base-Base interactions energy: -2093.039
where: short stacking energy: -872.084
Base-Backbone interact. energy: -2.078
local terms energy: -927.592798
where:
bonds (distance) C4'-P energy: -162.396
bonds (distance) P-C4' energy: -161.422
flat angles C4'-P-C4' energy: -208.155
flat angles P-C4'-P energy: -133.424
tors. eta vs tors. theta energy: -262.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2769.947096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.947096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.947096 (E_RNA)
where:
Base-Base interactions energy: -1917.607
where: short stacking energy: -780.824
Base-Backbone interact. energy: -6.926
local terms energy: -845.414262
where:
bonds (distance) C4'-P energy: -169.964
bonds (distance) P-C4' energy: -159.914
flat angles C4'-P-C4' energy: -178.191
flat angles P-C4'-P energy: -126.768
tors. eta vs tors. theta energy: -210.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2648.285494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.285494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.285494 (E_RNA)
where:
Base-Base interactions energy: -1750.418
where: short stacking energy: -758.934
Base-Backbone interact. energy: -2.135
local terms energy: -895.732437
where:
bonds (distance) C4'-P energy: -162.127
bonds (distance) P-C4' energy: -177.291
flat angles C4'-P-C4' energy: -203.580
flat angles P-C4'-P energy: -122.352
tors. eta vs tors. theta energy: -230.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2449.559337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.559337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.559337 (E_RNA)
where:
Base-Base interactions energy: -1650.218
where: short stacking energy: -738.238
Base-Backbone interact. energy: -1.686
local terms energy: -797.655585
where:
bonds (distance) C4'-P energy: -138.216
bonds (distance) P-C4' energy: -179.500
flat angles C4'-P-C4' energy: -182.250
flat angles P-C4'-P energy: -113.318
tors. eta vs tors. theta energy: -184.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2274.868795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.868795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.868795 (E_RNA)
where:
Base-Base interactions energy: -1519.652
where: short stacking energy: -665.230
Base-Backbone interact. energy: -3.575
local terms energy: -751.641795
where:
bonds (distance) C4'-P energy: -151.852
bonds (distance) P-C4' energy: -152.391
flat angles C4'-P-C4' energy: -169.201
flat angles P-C4'-P energy: -109.686
tors. eta vs tors. theta energy: -168.512
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: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1823.835709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.835709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.835709 (E_RNA)
where:
Base-Base interactions energy: -1195.023
where: short stacking energy: -520.076
Base-Backbone interact. energy: -0.759
local terms energy: -628.053681
where:
bonds (distance) C4'-P energy: -123.895
bonds (distance) P-C4' energy: -167.774
flat angles C4'-P-C4' energy: -164.174
flat angles P-C4'-P energy: -88.628
tors. eta vs tors. theta energy: -83.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1388.060799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.060799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.060799 (E_RNA)
where:
Base-Base interactions energy: -823.487
where: short stacking energy: -425.039
Base-Backbone interact. energy: 2.082
local terms energy: -566.654985
where:
bonds (distance) C4'-P energy: -138.566
bonds (distance) P-C4' energy: -164.589
flat angles C4'-P-C4' energy: -132.962
flat angles P-C4'-P energy: -66.925
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: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1056.113818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.113818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.113818 (E_RNA)
where:
Base-Base interactions energy: -545.502
where: short stacking energy: -290.903
Base-Backbone interact. energy: 4.585
local terms energy: -515.197109
where:
bonds (distance) C4'-P energy: -150.170
bonds (distance) P-C4' energy: -157.036
flat angles C4'-P-C4' energy: -137.426
flat angles P-C4'-P energy: -74.484
tors. eta vs tors. theta energy: 3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -762.645076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.645076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.645076 (E_RNA)
where:
Base-Base interactions energy: -322.185
where: short stacking energy: -177.024
Base-Backbone interact. energy: 8.925
local terms energy: -449.384858
where:
bonds (distance) C4'-P energy: -136.857
bonds (distance) P-C4' energy: -148.372
flat angles C4'-P-C4' energy: -121.074
flat angles P-C4'-P energy: -85.466
tors. eta vs tors. theta energy: 42.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -3072.933247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3072.933247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3072.933247 (E_RNA)
where:
Base-Base interactions energy: -2098.312
where: short stacking energy: -891.637
Base-Backbone interact. energy: -1.057
local terms energy: -973.564497
where:
bonds (distance) C4'-P energy: -172.518
bonds (distance) P-C4' energy: -176.835
flat angles C4'-P-C4' energy: -211.288
flat angles P-C4'-P energy: -135.400
tors. eta vs tors. theta energy: -277.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -3024.797237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.797237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.797237 (E_RNA)
where:
Base-Base interactions energy: -2072.860
where: short stacking energy: -835.611
Base-Backbone interact. energy: -0.976
local terms energy: -950.961621
where:
bonds (distance) C4'-P energy: -178.476
bonds (distance) P-C4' energy: -187.337
flat angles C4'-P-C4' energy: -201.060
flat angles P-C4'-P energy: -141.126
tors. eta vs tors. theta energy: -242.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2823.452836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.452836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.452836 (E_RNA)
where:
Base-Base interactions energy: -1948.775
where: short stacking energy: -824.013
Base-Backbone interact. energy: 3.559
local terms energy: -878.236642
where:
bonds (distance) C4'-P energy: -164.449
bonds (distance) P-C4' energy: -173.939
flat angles C4'-P-C4' energy: -185.591
flat angles P-C4'-P energy: -116.705
tors. eta vs tors. theta energy: -237.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2698.951396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.951396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.951396 (E_RNA)
where:
Base-Base interactions energy: -1803.751
where: short stacking energy: -815.221
Base-Backbone interact. energy: -0.231
local terms energy: -894.969197
where:
bonds (distance) C4'-P energy: -168.614
bonds (distance) P-C4' energy: -163.425
flat angles C4'-P-C4' energy: -201.444
flat angles P-C4'-P energy: -118.255
tors. eta vs tors. theta energy: -243.231
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2363.989123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.989123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.989123 (E_RNA)
where:
Base-Base interactions energy: -1628.286
where: short stacking energy: -679.551
Base-Backbone interact. energy: 6.868
local terms energy: -742.571205
where:
bonds (distance) C4'-P energy: -138.170
bonds (distance) P-C4' energy: -169.494
flat angles C4'-P-C4' energy: -169.992
flat angles P-C4'-P energy: -111.148
tors. eta vs tors. theta energy: -153.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2264.411797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.411797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.411797 (E_RNA)
where:
Base-Base interactions energy: -1569.476
where: short stacking energy: -701.579
Base-Backbone interact. energy: 0.128
local terms energy: -695.063685
where:
bonds (distance) C4'-P energy: -115.547
bonds (distance) P-C4' energy: -140.682
flat angles C4'-P-C4' energy: -160.642
flat angles P-C4'-P energy: -93.724
tors. eta vs tors. theta energy: -184.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1850.844760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.844760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.844760 (E_RNA)
where:
Base-Base interactions energy: -1211.875
where: short stacking energy: -512.394
Base-Backbone interact. energy: 1.724
local terms energy: -640.694116
where:
bonds (distance) C4'-P energy: -148.392
bonds (distance) P-C4' energy: -156.358
flat angles C4'-P-C4' energy: -126.876
flat angles P-C4'-P energy: -106.201
tors. eta vs tors. theta energy: -102.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1418.653192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.653192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.653192 (E_RNA)
where:
Base-Base interactions energy: -832.487
where: short stacking energy: -421.293
Base-Backbone interact. energy: 0.795
local terms energy: -586.961629
where:
bonds (distance) C4'-P energy: -158.760
bonds (distance) P-C4' energy: -138.954
flat angles C4'-P-C4' energy: -151.872
flat angles P-C4'-P energy: -67.011
tors. eta vs tors. theta energy: -70.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1064.677538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.677538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.677538 (E_RNA)
where:
Base-Base interactions energy: -552.228
where: short stacking energy: -300.520
Base-Backbone interact. energy: 3.857
local terms energy: -516.306608
where:
bonds (distance) C4'-P energy: -146.881
bonds (distance) P-C4' energy: -167.497
flat angles C4'-P-C4' energy: -139.666
flat angles P-C4'-P energy: -72.213
tors. eta vs tors. theta energy: 9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -764.545842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.545842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.545842 (E_RNA)
where:
Base-Base interactions energy: -339.855
where: short stacking energy: -214.840
Base-Backbone interact. energy: -2.195
local terms energy: -422.496463
where:
bonds (distance) C4'-P energy: -98.722
bonds (distance) P-C4' energy: -139.248
flat angles C4'-P-C4' energy: -142.673
flat angles P-C4'-P energy: -64.489
tors. eta vs tors. theta energy: 22.635
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: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -3112.414119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3112.414119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3112.414119 (E_RNA)
where:
Base-Base interactions energy: -2153.785
where: short stacking energy: -875.435
Base-Backbone interact. energy: -2.317
local terms energy: -956.311890
where:
bonds (distance) C4'-P energy: -170.604
bonds (distance) P-C4' energy: -188.386
flat angles C4'-P-C4' energy: -199.417
flat angles P-C4'-P energy: -135.197
tors. eta vs tors. theta energy: -262.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -3041.998810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.998810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.998810 (E_RNA)
where:
Base-Base interactions energy: -2100.805
where: short stacking energy: -877.456
Base-Backbone interact. energy: -4.187
local terms energy: -937.006637
where:
bonds (distance) C4'-P energy: -171.466
bonds (distance) P-C4' energy: -176.974
flat angles C4'-P-C4' energy: -193.081
flat angles P-C4'-P energy: -131.926
tors. eta vs tors. theta energy: -263.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2823.583381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.583381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.583381 (E_RNA)
where:
Base-Base interactions energy: -1935.193
where: short stacking energy: -790.257
Base-Backbone interact. energy: -1.783
local terms energy: -886.607188
where:
bonds (distance) C4'-P energy: -164.225
bonds (distance) P-C4' energy: -172.303
flat angles C4'-P-C4' energy: -208.803
flat angles P-C4'-P energy: -112.241
tors. eta vs tors. theta energy: -229.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2599.250944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.250944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.250944 (E_RNA)
where:
Base-Base interactions energy: -1742.815
where: short stacking energy: -772.517
Base-Backbone interact. energy: -7.158
local terms energy: -849.277819
where:
bonds (distance) C4'-P energy: -145.542
bonds (distance) P-C4' energy: -166.953
flat angles C4'-P-C4' energy: -188.459
flat angles P-C4'-P energy: -124.125
tors. eta vs tors. theta energy: -224.199
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: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2389.741124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.741124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.741124 (E_RNA)
where:
Base-Base interactions energy: -1616.502
where: short stacking energy: -699.920
Base-Backbone interact. energy: 0.233
local terms energy: -773.472327
where:
bonds (distance) C4'-P energy: -159.947
bonds (distance) P-C4' energy: -158.672
flat angles C4'-P-C4' energy: -181.172
flat angles P-C4'-P energy: -98.642
tors. eta vs tors. theta energy: -175.039
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: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2302.822796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.822796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.822796 (E_RNA)
where:
Base-Base interactions energy: -1515.270
where: short stacking energy: -659.508
Base-Backbone interact. energy: -2.455
local terms energy: -785.097517
where:
bonds (distance) C4'-P energy: -148.335
bonds (distance) P-C4' energy: -152.459
flat angles C4'-P-C4' energy: -181.491
flat angles P-C4'-P energy: -105.242
tors. eta vs tors. theta energy: -197.570
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1865.660303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.660303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.660303 (E_RNA)
where:
Base-Base interactions energy: -1182.522
where: short stacking energy: -540.120
Base-Backbone interact. energy: -1.565
local terms energy: -681.572999
where:
bonds (distance) C4'-P energy: -155.616
bonds (distance) P-C4' energy: -158.614
flat angles C4'-P-C4' energy: -164.488
flat angles P-C4'-P energy: -92.186
tors. eta vs tors. theta energy: -110.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1325.398515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.398515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.398515 (E_RNA)
where:
Base-Base interactions energy: -750.809
where: short stacking energy: -350.353
Base-Backbone interact. energy: -2.728
local terms energy: -571.862057
where:
bonds (distance) C4'-P energy: -143.322
bonds (distance) P-C4' energy: -152.823
flat angles C4'-P-C4' energy: -154.702
flat angles P-C4'-P energy: -92.239
tors. eta vs tors. theta energy: -28.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1054.062041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.062041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.062041 (E_RNA)
where:
Base-Base interactions energy: -535.051
where: short stacking energy: -287.395
Base-Backbone interact. energy: 1.447
local terms energy: -520.457786
where:
bonds (distance) C4'-P energy: -144.823
bonds (distance) P-C4' energy: -160.387
flat angles C4'-P-C4' energy: -117.318
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -823.832676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.832676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.832676 (E_RNA)
where:
Base-Base interactions energy: -351.962
where: short stacking energy: -204.783
Base-Backbone interact. energy: 8.481
local terms energy: -480.351801
where:
bonds (distance) C4'-P energy: -140.555
bonds (distance) P-C4' energy: -127.425
flat angles C4'-P-C4' energy: -137.449
flat angles P-C4'-P energy: -88.896
tors. eta vs tors. theta energy: 13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -3092.018726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3092.018726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3092.018726 (E_RNA)
where:
Base-Base interactions energy: -2135.777
where: short stacking energy: -864.580
Base-Backbone interact. energy: -3.729
local terms energy: -952.512154
where:
bonds (distance) C4'-P energy: -180.545
bonds (distance) P-C4' energy: -187.457
flat angles C4'-P-C4' energy: -195.996
flat angles P-C4'-P energy: -133.261
tors. eta vs tors. theta energy: -255.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2984.185072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.185072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.185072 (E_RNA)
where:
Base-Base interactions energy: -2017.620
where: short stacking energy: -895.721
Base-Backbone interact. energy: -3.430
local terms energy: -963.135911
where:
bonds (distance) C4'-P energy: -157.588
bonds (distance) P-C4' energy: -187.784
flat angles C4'-P-C4' energy: -205.648
flat angles P-C4'-P energy: -140.371
tors. eta vs tors. theta energy: -271.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2796.782012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.782012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.782012 (E_RNA)
where:
Base-Base interactions energy: -1929.472
where: short stacking energy: -806.726
Base-Backbone interact. energy: -2.713
local terms energy: -864.597278
where:
bonds (distance) C4'-P energy: -158.546
bonds (distance) P-C4' energy: -172.359
flat angles C4'-P-C4' energy: -176.791
flat angles P-C4'-P energy: -128.429
tors. eta vs tors. theta energy: -228.473
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: 357
Temperature: 1.050000
Total energy: -2618.283905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.283905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.283905 (E_RNA)
where:
Base-Base interactions energy: -1758.947
where: short stacking energy: -777.395
Base-Backbone interact. energy: -3.053
local terms energy: -856.284747
where:
bonds (distance) C4'-P energy: -155.529
bonds (distance) P-C4' energy: -153.772
flat angles C4'-P-C4' energy: -179.087
flat angles P-C4'-P energy: -131.878
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: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2374.756135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.756135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.756135 (E_RNA)
where:
Base-Base interactions energy: -1586.564
where: short stacking energy: -689.605
Base-Backbone interact. energy: -3.061
local terms energy: -785.130942
where:
bonds (distance) C4'-P energy: -159.164
bonds (distance) P-C4' energy: -166.961
flat angles C4'-P-C4' energy: -169.791
flat angles P-C4'-P energy: -101.420
tors. eta vs tors. theta energy: -187.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2294.880132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.880132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.880132 (E_RNA)
where:
Base-Base interactions energy: -1515.700
where: short stacking energy: -672.432
Base-Backbone interact. energy: 1.203
local terms energy: -780.383303
where:
bonds (distance) C4'-P energy: -152.568
bonds (distance) P-C4' energy: -156.612
flat angles C4'-P-C4' energy: -183.964
flat angles P-C4'-P energy: -104.738
tors. eta vs tors. theta energy: -182.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1927.214531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.214531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.214531 (E_RNA)
where:
Base-Base interactions energy: -1248.302
where: short stacking energy: -579.946
Base-Backbone interact. energy: -2.790
local terms energy: -676.122781
where:
bonds (distance) C4'-P energy: -147.295
bonds (distance) P-C4' energy: -134.986
flat angles C4'-P-C4' energy: -179.044
flat angles P-C4'-P energy: -96.882
tors. eta vs tors. theta energy: -117.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1310.482882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.482882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.482882 (E_RNA)
where:
Base-Base interactions energy: -785.607
where: short stacking energy: -384.406
Base-Backbone interact. energy: 5.259
local terms energy: -530.134622
where:
bonds (distance) C4'-P energy: -144.828
bonds (distance) P-C4' energy: -172.119
flat angles C4'-P-C4' energy: -114.174
flat angles P-C4'-P energy: -62.292
tors. eta vs tors. theta energy: -36.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -964.569557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.569557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.569557 (E_RNA)
where:
Base-Base interactions energy: -471.954
where: short stacking energy: -272.306
Base-Backbone interact. energy: -2.356
local terms energy: -490.258948
where:
bonds (distance) C4'-P energy: -140.656
bonds (distance) P-C4' energy: -137.544
flat angles C4'-P-C4' energy: -114.584
flat angles P-C4'-P energy: -91.956
tors. eta vs tors. theta energy: -5.519
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: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -863.305507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.305507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.305507 (E_RNA)
where:
Base-Base interactions energy: -397.483
where: short stacking energy: -216.986
Base-Backbone interact. energy: 5.196
local terms energy: -471.018228
where:
bonds (distance) C4'-P energy: -135.412
bonds (distance) P-C4' energy: -142.359
flat angles C4'-P-C4' energy: -129.561
flat angles P-C4'-P energy: -76.281
tors. eta vs tors. theta energy: 12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -3063.738759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3063.738759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3063.738759 (E_RNA)
where:
Base-Base interactions energy: -2081.464
where: short stacking energy: -912.716
Base-Backbone interact. energy: -1.356
local terms energy: -980.918709
where:
bonds (distance) C4'-P energy: -160.837
bonds (distance) P-C4' energy: -186.178
flat angles C4'-P-C4' energy: -212.825
flat angles P-C4'-P energy: -127.817
tors. eta vs tors. theta energy: -293.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -3007.625929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.625929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.625929 (E_RNA)
where:
Base-Base interactions energy: -2117.930
where: short stacking energy: -883.285
Base-Backbone interact. energy: -1.414
local terms energy: -888.281905
where:
bonds (distance) C4'-P energy: -161.218
bonds (distance) P-C4' energy: -147.977
flat angles C4'-P-C4' energy: -196.967
flat angles P-C4'-P energy: -131.506
tors. eta vs tors. theta energy: -250.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2782.543359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.543359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.543359 (E_RNA)
where:
Base-Base interactions energy: -1897.706
where: short stacking energy: -792.657
Base-Backbone interact. energy: -4.197
local terms energy: -880.639774
where:
bonds (distance) C4'-P energy: -177.882
bonds (distance) P-C4' energy: -169.789
flat angles C4'-P-C4' energy: -199.981
flat angles P-C4'-P energy: -102.529
tors. eta vs tors. theta energy: -230.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2591.409403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.409403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.409403 (E_RNA)
where:
Base-Base interactions energy: -1694.519
where: short stacking energy: -759.174
Base-Backbone interact. energy: -0.480
local terms energy: -896.410549
where:
bonds (distance) C4'-P energy: -168.595
bonds (distance) P-C4' energy: -175.489
flat angles C4'-P-C4' energy: -192.226
flat angles P-C4'-P energy: -125.057
tors. eta vs tors. theta energy: -235.043
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: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2460.601174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.601174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.601174 (E_RNA)
where:
Base-Base interactions energy: -1630.513
where: short stacking energy: -732.263
Base-Backbone interact. energy: -1.216
local terms energy: -828.872623
where:
bonds (distance) C4'-P energy: -163.694
bonds (distance) P-C4' energy: -154.236
flat angles C4'-P-C4' energy: -189.685
flat angles P-C4'-P energy: -120.452
tors. eta vs tors. theta energy: -200.806
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: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2239.710005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.710005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.710005 (E_RNA)
where:
Base-Base interactions energy: -1494.616
where: short stacking energy: -663.418
Base-Backbone interact. energy: 0.984
local terms energy: -746.077955
where:
bonds (distance) C4'-P energy: -135.988
bonds (distance) P-C4' energy: -150.206
flat angles C4'-P-C4' energy: -185.663
flat angles P-C4'-P energy: -98.554
tors. eta vs tors. theta energy: -175.667
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: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1892.066996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.066996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.066996 (E_RNA)
where:
Base-Base interactions energy: -1191.226
where: short stacking energy: -548.308
Base-Backbone interact. energy: 2.282
local terms energy: -703.123167
where:
bonds (distance) C4'-P energy: -141.371
bonds (distance) P-C4' energy: -171.961
flat angles C4'-P-C4' energy: -157.446
flat angles P-C4'-P energy: -113.837
tors. eta vs tors. theta energy: -118.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1313.584368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.584368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.584368 (E_RNA)
where:
Base-Base interactions energy: -735.917
where: short stacking energy: -385.218
Base-Backbone interact. energy: 2.886
local terms energy: -580.553723
where:
bonds (distance) C4'-P energy: -160.484
bonds (distance) P-C4' energy: -156.467
flat angles C4'-P-C4' energy: -134.369
flat angles P-C4'-P energy: -78.821
tors. eta vs tors. theta energy: -50.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -987.197594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.197594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.197594 (E_RNA)
where:
Base-Base interactions energy: -508.639
where: short stacking energy: -280.723
Base-Backbone interact. energy: 0.971
local terms energy: -479.529375
where:
bonds (distance) C4'-P energy: -139.262
bonds (distance) P-C4' energy: -145.803
flat angles C4'-P-C4' energy: -118.275
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -962.621846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.621846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.621846 (E_RNA)
where:
Base-Base interactions energy: -499.430
where: short stacking energy: -267.516
Base-Backbone interact. energy: -1.100
local terms energy: -462.092499
where:
bonds (distance) C4'-P energy: -154.505
bonds (distance) P-C4' energy: -152.120
flat angles C4'-P-C4' energy: -127.226
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: 8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -3052.277949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.277949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.277949 (E_RNA)
where:
Base-Base interactions energy: -2071.475
where: short stacking energy: -888.777
Base-Backbone interact. energy: -3.668
local terms energy: -977.134760
where:
bonds (distance) C4'-P energy: -182.931
bonds (distance) P-C4' energy: -183.633
flat angles C4'-P-C4' energy: -193.890
flat angles P-C4'-P energy: -131.449
tors. eta vs tors. theta energy: -285.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2979.594108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.594108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.594108 (E_RNA)
where:
Base-Base interactions energy: -2066.509
where: short stacking energy: -808.502
Base-Backbone interact. energy: -1.864
local terms energy: -911.221693
where:
bonds (distance) C4'-P energy: -179.031
bonds (distance) P-C4' energy: -176.504
flat angles C4'-P-C4' energy: -190.957
flat angles P-C4'-P energy: -129.709
tors. eta vs tors. theta energy: -235.020
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: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2829.140214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.140214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.140214 (E_RNA)
where:
Base-Base interactions energy: -1931.165
where: short stacking energy: -799.650
Base-Backbone interact. energy: -1.146
local terms energy: -896.829113
where:
bonds (distance) C4'-P energy: -175.741
bonds (distance) P-C4' energy: -177.952
flat angles C4'-P-C4' energy: -190.166
flat angles P-C4'-P energy: -125.222
tors. eta vs tors. theta energy: -227.748
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: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2665.035969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.035969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.035969 (E_RNA)
where:
Base-Base interactions energy: -1785.138
where: short stacking energy: -795.294
Base-Backbone interact. energy: -2.316
local terms energy: -877.581674
where:
bonds (distance) C4'-P energy: -151.206
bonds (distance) P-C4' energy: -179.989
flat angles C4'-P-C4' energy: -176.983
flat angles P-C4'-P energy: -128.862
tors. eta vs tors. theta energy: -240.542
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: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2437.500656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.500656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.500656 (E_RNA)
where:
Base-Base interactions energy: -1639.182
where: short stacking energy: -714.268
Base-Backbone interact. energy: -2.695
local terms energy: -795.624259
where:
bonds (distance) C4'-P energy: -157.072
bonds (distance) P-C4' energy: -159.149
flat angles C4'-P-C4' energy: -175.238
flat angles P-C4'-P energy: -101.521
tors. eta vs tors. theta energy: -202.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2240.804428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.804428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.804428 (E_RNA)
where:
Base-Base interactions energy: -1485.492
where: short stacking energy: -650.821
Base-Backbone interact. energy: -1.384
local terms energy: -753.929070
where:
bonds (distance) C4'-P energy: -166.325
bonds (distance) P-C4' energy: -143.955
flat angles C4'-P-C4' energy: -163.960
flat angles P-C4'-P energy: -100.818
tors. eta vs tors. theta energy: -178.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1941.057714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.057714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.057714 (E_RNA)
where:
Base-Base interactions energy: -1276.117
where: short stacking energy: -541.771
Base-Backbone interact. energy: 3.232
local terms energy: -668.173152
where:
bonds (distance) C4'-P energy: -133.085
bonds (distance) P-C4' energy: -130.734
flat angles C4'-P-C4' energy: -168.955
flat angles P-C4'-P energy: -124.176
tors. eta vs tors. theta energy: -111.223
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: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1285.546870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.546870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.546870 (E_RNA)
where:
Base-Base interactions energy: -732.469
where: short stacking energy: -371.763
Base-Backbone interact. energy: -1.036
local terms energy: -552.042495
where:
bonds (distance) C4'-P energy: -145.946
bonds (distance) P-C4' energy: -144.160
flat angles C4'-P-C4' energy: -142.964
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -30.597
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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -962.686814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.686814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.686814 (E_RNA)
where:
Base-Base interactions energy: -453.599
where: short stacking energy: -278.584
Base-Backbone interact. energy: 0.745
local terms energy: -509.832605
where:
bonds (distance) C4'-P energy: -135.767
bonds (distance) P-C4' energy: -147.914
flat angles C4'-P-C4' energy: -149.839
flat angles P-C4'-P energy: -84.630
tors. eta vs tors. theta energy: 8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -897.308620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.308620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.308620 (E_RNA)
where:
Base-Base interactions energy: -441.144
where: short stacking energy: -238.924
Base-Backbone interact. energy: 4.280
local terms energy: -460.444621
where:
bonds (distance) C4'-P energy: -126.145
bonds (distance) P-C4' energy: -168.279
flat angles C4'-P-C4' energy: -112.317
flat angles P-C4'-P energy: -82.502
tors. eta vs tors. theta energy: 28.799
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: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -3058.545927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3058.545927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3058.545927 (E_RNA)
where:
Base-Base interactions energy: -2092.079
where: short stacking energy: -865.624
Base-Backbone interact. energy: -2.882
local terms energy: -963.584084
where:
bonds (distance) C4'-P energy: -177.251
bonds (distance) P-C4' energy: -179.226
flat angles C4'-P-C4' energy: -194.887
flat angles P-C4'-P energy: -143.329
tors. eta vs tors. theta energy: -268.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -3005.837850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3005.837850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.837850 (E_RNA)
where:
Base-Base interactions energy: -2078.360
where: short stacking energy: -823.847
Base-Backbone interact. energy: -6.233
local terms energy: -921.244240
where:
bonds (distance) C4'-P energy: -168.125
bonds (distance) P-C4' energy: -181.591
flat angles C4'-P-C4' energy: -195.315
flat angles P-C4'-P energy: -141.218
tors. eta vs tors. theta energy: -234.996
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2796.620223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.620223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.620223 (E_RNA)
where:
Base-Base interactions energy: -1921.051
where: short stacking energy: -805.080
Base-Backbone interact. energy: -5.214
local terms energy: -870.354861
where:
bonds (distance) C4'-P energy: -159.957
bonds (distance) P-C4' energy: -160.365
flat angles C4'-P-C4' energy: -195.010
flat angles P-C4'-P energy: -117.653
tors. eta vs tors. theta energy: -237.370
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2700.259272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.259272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.259272 (E_RNA)
where:
Base-Base interactions energy: -1832.490
where: short stacking energy: -807.612
Base-Backbone interact. energy: -0.760
local terms energy: -867.009114
where:
bonds (distance) C4'-P energy: -153.999
bonds (distance) P-C4' energy: -151.865
flat angles C4'-P-C4' energy: -191.901
flat angles P-C4'-P energy: -128.260
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: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2357.714230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.714230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.714230 (E_RNA)
where:
Base-Base interactions energy: -1584.045
where: short stacking energy: -687.901
Base-Backbone interact. energy: 0.245
local terms energy: -773.914276
where:
bonds (distance) C4'-P energy: -148.753
bonds (distance) P-C4' energy: -151.253
flat angles C4'-P-C4' energy: -174.522
flat angles P-C4'-P energy: -131.461
tors. eta vs tors. theta energy: -167.925
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: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2224.551571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.551571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.551571 (E_RNA)
where:
Base-Base interactions energy: -1465.655
where: short stacking energy: -654.982
Base-Backbone interact. energy: -0.393
local terms energy: -758.503695
where:
bonds (distance) C4'-P energy: -147.448
bonds (distance) P-C4' energy: -134.604
flat angles C4'-P-C4' energy: -183.769
flat angles P-C4'-P energy: -105.360
tors. eta vs tors. theta energy: -187.323
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1869.817131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.817131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.817131 (E_RNA)
where:
Base-Base interactions energy: -1190.764
where: short stacking energy: -537.830
Base-Backbone interact. energy: -1.723
local terms energy: -677.330105
where:
bonds (distance) C4'-P energy: -136.974
bonds (distance) P-C4' energy: -152.774
flat angles C4'-P-C4' energy: -163.377
flat angles P-C4'-P energy: -101.273
tors. eta vs tors. theta energy: -122.933
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: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1243.358221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.358221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.358221 (E_RNA)
where:
Base-Base interactions energy: -673.459
where: short stacking energy: -389.507
Base-Backbone interact. energy: -0.644
local terms energy: -569.254952
where:
bonds (distance) C4'-P energy: -119.432
bonds (distance) P-C4' energy: -163.783
flat angles C4'-P-C4' energy: -156.717
flat angles P-C4'-P energy: -77.854
tors. eta vs tors. theta energy: -51.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -923.445113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.445113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.445113 (E_RNA)
where:
Base-Base interactions energy: -465.082
where: short stacking energy: -270.746
Base-Backbone interact. energy: 1.088
local terms energy: -459.451464
where:
bonds (distance) C4'-P energy: -170.576
bonds (distance) P-C4' energy: -130.969
flat angles C4'-P-C4' energy: -113.432
flat angles P-C4'-P energy: -68.444
tors. eta vs tors. theta energy: 23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -904.413371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.413371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.413371 (E_RNA)
where:
Base-Base interactions energy: -433.599
where: short stacking energy: -231.349
Base-Backbone interact. energy: -1.324
local terms energy: -469.490882
where:
bonds (distance) C4'-P energy: -137.363
bonds (distance) P-C4' energy: -165.694
flat angles C4'-P-C4' energy: -106.315
flat angles P-C4'-P energy: -81.854
tors. eta vs tors. theta energy: 21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -3067.074855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3067.074855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3067.074855 (E_RNA)
where:
Base-Base interactions energy: -2100.592
where: short stacking energy: -889.146
Base-Backbone interact. energy: -1.787
local terms energy: -964.695893
where:
bonds (distance) C4'-P energy: -177.789
bonds (distance) P-C4' energy: -176.477
flat angles C4'-P-C4' energy: -206.768
flat angles P-C4'-P energy: -124.707
tors. eta vs tors. theta energy: -278.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2994.579843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.579843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.579843 (E_RNA)
where:
Base-Base interactions energy: -2062.064
where: short stacking energy: -833.794
Base-Backbone interact. energy: 5.171
local terms energy: -937.686747
where:
bonds (distance) C4'-P energy: -188.241
bonds (distance) P-C4' energy: -183.033
flat angles C4'-P-C4' energy: -195.444
flat angles P-C4'-P energy: -146.090
tors. eta vs tors. theta energy: -224.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2775.056581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.056581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.056581 (E_RNA)
where:
Base-Base interactions energy: -1915.523
where: short stacking energy: -809.057
Base-Backbone interact. energy: -6.806
local terms energy: -852.727745
where:
bonds (distance) C4'-P energy: -159.968
bonds (distance) P-C4' energy: -177.124
flat angles C4'-P-C4' energy: -175.123
flat angles P-C4'-P energy: -106.771
tors. eta vs tors. theta energy: -233.742
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: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2609.848643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.848643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.848643 (E_RNA)
where:
Base-Base interactions energy: -1706.551
where: short stacking energy: -751.728
Base-Backbone interact. energy: -3.561
local terms energy: -899.736216
where:
bonds (distance) C4'-P energy: -165.456
bonds (distance) P-C4' energy: -180.077
flat angles C4'-P-C4' energy: -198.596
flat angles P-C4'-P energy: -126.684
tors. eta vs tors. theta energy: -228.923
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: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2391.560957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.560957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.560957 (E_RNA)
where:
Base-Base interactions energy: -1607.828
where: short stacking energy: -695.356
Base-Backbone interact. energy: -0.899
local terms energy: -782.833370
where:
bonds (distance) C4'-P energy: -160.816
bonds (distance) P-C4' energy: -180.510
flat angles C4'-P-C4' energy: -171.333
flat angles P-C4'-P energy: -90.974
tors. eta vs tors. theta energy: -179.201
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: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2237.816258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.816258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.816258 (E_RNA)
where:
Base-Base interactions energy: -1465.656
where: short stacking energy: -662.733
Base-Backbone interact. energy: -5.580
local terms energy: -766.580796
where:
bonds (distance) C4'-P energy: -152.320
bonds (distance) P-C4' energy: -171.269
flat angles C4'-P-C4' energy: -178.107
flat angles P-C4'-P energy: -106.218
tors. eta vs tors. theta energy: -158.666
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: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1863.235871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.235871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.235871 (E_RNA)
where:
Base-Base interactions energy: -1197.708
where: short stacking energy: -551.786
Base-Backbone interact. energy: 1.598
local terms energy: -667.125517
where:
bonds (distance) C4'-P energy: -142.252
bonds (distance) P-C4' energy: -159.485
flat angles C4'-P-C4' energy: -158.806
flat angles P-C4'-P energy: -93.882
tors. eta vs tors. theta energy: -112.699
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1276.479984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.479984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.479984 (E_RNA)
where:
Base-Base interactions energy: -689.158
where: short stacking energy: -373.066
Base-Backbone interact. energy: -1.056
local terms energy: -586.266005
where:
bonds (distance) C4'-P energy: -163.152
bonds (distance) P-C4' energy: -165.795
flat angles C4'-P-C4' energy: -147.738
flat angles P-C4'-P energy: -74.937
tors. eta vs tors. theta energy: -34.643
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: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -999.443955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.443955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.443955 (E_RNA)
where:
Base-Base interactions energy: -507.825
where: short stacking energy: -307.813
Base-Backbone interact. energy: -2.634
local terms energy: -488.984156
where:
bonds (distance) C4'-P energy: -133.066
bonds (distance) P-C4' energy: -153.282
flat angles C4'-P-C4' energy: -137.314
flat angles P-C4'-P energy: -83.111
tors. eta vs tors. theta energy: 17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -898.569726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.569726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.569726 (E_RNA)
where:
Base-Base interactions energy: -425.029
where: short stacking energy: -220.130
Base-Backbone interact. energy: -4.827
local terms energy: -468.713454
where:
bonds (distance) C4'-P energy: -140.936
bonds (distance) P-C4' energy: -151.397
flat angles C4'-P-C4' energy: -117.625
flat angles P-C4'-P energy: -74.176
tors. eta vs tors. theta energy: 15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -3062.140316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.140316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.140316 (E_RNA)
where:
Base-Base interactions energy: -2111.569
where: short stacking energy: -895.713
Base-Backbone interact. energy: -7.642
local terms energy: -942.929489
where:
bonds (distance) C4'-P energy: -160.346
bonds (distance) P-C4' energy: -159.510
flat angles C4'-P-C4' energy: -214.778
flat angles P-C4'-P energy: -136.565
tors. eta vs tors. theta energy: -271.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2998.946620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.946620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.946620 (E_RNA)
where:
Base-Base interactions energy: -2093.495
where: short stacking energy: -829.062
Base-Backbone interact. energy: 0.203
local terms energy: -905.654704
where:
bonds (distance) C4'-P energy: -171.423
bonds (distance) P-C4' energy: -169.480
flat angles C4'-P-C4' energy: -194.718
flat angles P-C4'-P energy: -127.926
tors. eta vs tors. theta energy: -242.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2791.905561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.905561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.905561 (E_RNA)
where:
Base-Base interactions energy: -1925.372
where: short stacking energy: -823.909
Base-Backbone interact. energy: -2.006
local terms energy: -864.527662
where:
bonds (distance) C4'-P energy: -161.033
bonds (distance) P-C4' energy: -153.452
flat angles C4'-P-C4' energy: -186.147
flat angles P-C4'-P energy: -133.013
tors. eta vs tors. theta energy: -230.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2650.873155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.873155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.873155 (E_RNA)
where:
Base-Base interactions energy: -1777.361
where: short stacking energy: -773.273
Base-Backbone interact. energy: 4.222
local terms energy: -877.734420
where:
bonds (distance) C4'-P energy: -162.194
bonds (distance) P-C4' energy: -176.709
flat angles C4'-P-C4' energy: -187.001
flat angles P-C4'-P energy: -116.801
tors. eta vs tors. theta energy: -235.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2392.117790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.117790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.117790 (E_RNA)
where:
Base-Base interactions energy: -1593.888
where: short stacking energy: -720.760
Base-Backbone interact. energy: -2.543
local terms energy: -795.686419
where:
bonds (distance) C4'-P energy: -168.937
bonds (distance) P-C4' energy: -177.280
flat angles C4'-P-C4' energy: -175.378
flat angles P-C4'-P energy: -99.073
tors. eta vs tors. theta energy: -175.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2261.308031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.308031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.308031 (E_RNA)
where:
Base-Base interactions energy: -1490.692
where: short stacking energy: -666.964
Base-Backbone interact. energy: 7.368
local terms energy: -777.984479
where:
bonds (distance) C4'-P energy: -172.413
bonds (distance) P-C4' energy: -146.825
flat angles C4'-P-C4' energy: -161.737
flat angles P-C4'-P energy: -123.095
tors. eta vs tors. theta energy: -173.915
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: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1955.992906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.992906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.992906 (E_RNA)
where:
Base-Base interactions energy: -1271.114
where: short stacking energy: -569.574
Base-Backbone interact. energy: -1.680
local terms energy: -683.199106
where:
bonds (distance) C4'-P energy: -146.274
bonds (distance) P-C4' energy: -168.144
flat angles C4'-P-C4' energy: -141.723
flat angles P-C4'-P energy: -111.835
tors. eta vs tors. theta energy: -115.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1277.712168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.712168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.712168 (E_RNA)
where:
Base-Base interactions energy: -692.648
where: short stacking energy: -336.365
Base-Backbone interact. energy: 1.425
local terms energy: -586.489446
where:
bonds (distance) C4'-P energy: -175.185
bonds (distance) P-C4' energy: -153.023
flat angles C4'-P-C4' energy: -152.683
flat angles P-C4'-P energy: -84.166
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -996.039658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.039658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.039658 (E_RNA)
where:
Base-Base interactions energy: -466.249
where: short stacking energy: -270.936
Base-Backbone interact. energy: -2.221
local terms energy: -527.569925
where:
bonds (distance) C4'-P energy: -138.659
bonds (distance) P-C4' energy: -129.018
flat angles C4'-P-C4' energy: -148.129
flat angles P-C4'-P energy: -102.413
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -871.896435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.896435 (E_RNA)
where:
Base-Base interactions energy: -413.068
where: short stacking energy: -235.811
Base-Backbone interact. energy: -0.968
local terms energy: -457.859961
where:
bonds (distance) C4'-P energy: -145.302
bonds (distance) P-C4' energy: -158.450
flat angles C4'-P-C4' energy: -120.228
flat angles P-C4'-P energy: -61.330
tors. eta vs tors. theta energy: 27.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -3072.666234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3072.666234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3072.666234 (E_RNA)
where:
Base-Base interactions energy: -2109.336
where: short stacking energy: -904.902
Base-Backbone interact. energy: -4.713
local terms energy: -958.617413
where:
bonds (distance) C4'-P energy: -168.225
bonds (distance) P-C4' energy: -181.610
flat angles C4'-P-C4' energy: -201.708
flat angles P-C4'-P energy: -131.143
tors. eta vs tors. theta energy: -275.931
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: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2999.300574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.300574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.300574 (E_RNA)
where:
Base-Base interactions energy: -2104.251
where: short stacking energy: -831.184
Base-Backbone interact. energy: -2.134
local terms energy: -892.914986
where:
bonds (distance) C4'-P energy: -174.181
bonds (distance) P-C4' energy: -161.475
flat angles C4'-P-C4' energy: -194.296
flat angles P-C4'-P energy: -119.791
tors. eta vs tors. theta energy: -243.173
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2739.085389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.085389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.085389 (E_RNA)
where:
Base-Base interactions energy: -1876.008
where: short stacking energy: -790.127
Base-Backbone interact. energy: 4.064
local terms energy: -867.141077
where:
bonds (distance) C4'-P energy: -164.389
bonds (distance) P-C4' energy: -171.606
flat angles C4'-P-C4' energy: -171.990
flat angles P-C4'-P energy: -124.153
tors. eta vs tors. theta energy: -235.002
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2602.035151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.035151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.035151 (E_RNA)
where:
Base-Base interactions energy: -1742.077
where: short stacking energy: -774.892
Base-Backbone interact. energy: -1.563
local terms energy: -858.394665
where:
bonds (distance) C4'-P energy: -157.399
bonds (distance) P-C4' energy: -169.586
flat angles C4'-P-C4' energy: -190.560
flat angles P-C4'-P energy: -125.970
tors. eta vs tors. theta energy: -214.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2439.122448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.122448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.122448 (E_RNA)
where:
Base-Base interactions energy: -1608.376
where: short stacking energy: -727.546
Base-Backbone interact. energy: -3.218
local terms energy: -827.527927
where:
bonds (distance) C4'-P energy: -148.179
bonds (distance) P-C4' energy: -168.628
flat angles C4'-P-C4' energy: -186.879
flat angles P-C4'-P energy: -111.820
tors. eta vs tors. theta energy: -212.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2272.277566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.277566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.277566 (E_RNA)
where:
Base-Base interactions energy: -1524.368
where: short stacking energy: -680.659
Base-Backbone interact. energy: -2.101
local terms energy: -745.808721
where:
bonds (distance) C4'-P energy: -164.127
bonds (distance) P-C4' energy: -137.695
flat angles C4'-P-C4' energy: -165.577
flat angles P-C4'-P energy: -101.080
tors. eta vs tors. theta energy: -177.331
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: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2083.704884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.704884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.704884 (E_RNA)
where:
Base-Base interactions energy: -1377.329
where: short stacking energy: -582.447
Base-Backbone interact. energy: 1.551
local terms energy: -707.926261
where:
bonds (distance) C4'-P energy: -134.700
bonds (distance) P-C4' energy: -155.423
flat angles C4'-P-C4' energy: -170.875
flat angles P-C4'-P energy: -103.595
tors. eta vs tors. theta energy: -143.334
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: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1291.165175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.165175 (E_RNA)
where:
Base-Base interactions energy: -726.267
where: short stacking energy: -377.424
Base-Backbone interact. energy: -3.156
local terms energy: -561.741751
where:
bonds (distance) C4'-P energy: -140.140
bonds (distance) P-C4' energy: -147.301
flat angles C4'-P-C4' energy: -137.547
flat angles P-C4'-P energy: -101.361
tors. eta vs tors. theta energy: -35.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -950.416267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.416267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.416267 (E_RNA)
where:
Base-Base interactions energy: -488.102
where: short stacking energy: -280.637
Base-Backbone interact. energy: 2.742
local terms energy: -465.056354
where:
bonds (distance) C4'-P energy: -102.289
bonds (distance) P-C4' energy: -144.771
flat angles C4'-P-C4' energy: -127.133
flat angles P-C4'-P energy: -95.220
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: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -825.834509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.834509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.834509 (E_RNA)
where:
Base-Base interactions energy: -366.463
where: short stacking energy: -228.856
Base-Backbone interact. energy: 6.573
local terms energy: -465.944792
where:
bonds (distance) C4'-P energy: -121.026
bonds (distance) P-C4' energy: -144.348
flat angles C4'-P-C4' energy: -122.726
flat angles P-C4'-P energy: -89.778
tors. eta vs tors. theta energy: 11.934
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: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -3063.070041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3063.070041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3063.070041 (E_RNA)
where:
Base-Base interactions energy: -2117.396
where: short stacking energy: -898.529
Base-Backbone interact. energy: 3.494
local terms energy: -949.167627
where:
bonds (distance) C4'-P energy: -166.684
bonds (distance) P-C4' energy: -185.872
flat angles C4'-P-C4' energy: -214.147
flat angles P-C4'-P energy: -125.630
tors. eta vs tors. theta energy: -256.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2995.066060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.066060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.066060 (E_RNA)
where:
Base-Base interactions energy: -2062.966
where: short stacking energy: -852.668
Base-Backbone interact. energy: 2.859
local terms energy: -934.958412
where:
bonds (distance) C4'-P energy: -169.744
bonds (distance) P-C4' energy: -188.380
flat angles C4'-P-C4' energy: -195.163
flat angles P-C4'-P energy: -133.756
tors. eta vs tors. theta energy: -247.916
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: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2770.650947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.650947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.650947 (E_RNA)
where:
Base-Base interactions energy: -1878.028
where: short stacking energy: -776.034
Base-Backbone interact. energy: -0.488
local terms energy: -892.134956
where:
bonds (distance) C4'-P energy: -160.873
bonds (distance) P-C4' energy: -182.125
flat angles C4'-P-C4' energy: -190.871
flat angles P-C4'-P energy: -127.343
tors. eta vs tors. theta energy: -230.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2604.733105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.733105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.733105 (E_RNA)
where:
Base-Base interactions energy: -1721.965
where: short stacking energy: -757.012
Base-Backbone interact. energy: -2.615
local terms energy: -880.153688
where:
bonds (distance) C4'-P energy: -161.292
bonds (distance) P-C4' energy: -168.927
flat angles C4'-P-C4' energy: -192.800
flat angles P-C4'-P energy: -137.573
tors. eta vs tors. theta energy: -219.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2431.128689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.128689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.128689 (E_RNA)
where:
Base-Base interactions energy: -1623.324
where: short stacking energy: -685.702
Base-Backbone interact. energy: -3.330
local terms energy: -804.474846
where:
bonds (distance) C4'-P energy: -159.227
bonds (distance) P-C4' energy: -170.708
flat angles C4'-P-C4' energy: -166.468
flat angles P-C4'-P energy: -123.083
tors. eta vs tors. theta energy: -184.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2267.777609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.777609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.777609 (E_RNA)
where:
Base-Base interactions energy: -1494.354
where: short stacking energy: -694.331
Base-Backbone interact. energy: 6.505
local terms energy: -779.928429
where:
bonds (distance) C4'-P energy: -152.443
bonds (distance) P-C4' energy: -162.201
flat angles C4'-P-C4' energy: -169.205
flat angles P-C4'-P energy: -108.134
tors. eta vs tors. theta energy: -187.946
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: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2091.413041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.413041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.413041 (E_RNA)
where:
Base-Base interactions energy: -1388.166
where: short stacking energy: -568.936
Base-Backbone interact. energy: -6.044
local terms energy: -697.202512
where:
bonds (distance) C4'-P energy: -157.678
bonds (distance) P-C4' energy: -140.825
flat angles C4'-P-C4' energy: -161.265
flat angles P-C4'-P energy: -97.103
tors. eta vs tors. theta energy: -140.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1233.705670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.705670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.705670 (E_RNA)
where:
Base-Base interactions energy: -673.117
where: short stacking energy: -350.619
Base-Backbone interact. energy: 1.171
local terms energy: -561.759247
where:
bonds (distance) C4'-P energy: -139.179
bonds (distance) P-C4' energy: -164.010
flat angles C4'-P-C4' energy: -142.578
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -28.380
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: 364
Temperature: 1.300000
Total energy: -981.422615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.422615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.422615 (E_RNA)
where:
Base-Base interactions energy: -476.566
where: short stacking energy: -282.314
Base-Backbone interact. energy: 1.721
local terms energy: -506.577139
where:
bonds (distance) C4'-P energy: -144.227
bonds (distance) P-C4' energy: -163.544
flat angles C4'-P-C4' energy: -138.891
flat angles P-C4'-P energy: -57.186
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -799.165504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.165504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.165504 (E_RNA)
where:
Base-Base interactions energy: -371.563
where: short stacking energy: -203.611
Base-Backbone interact. energy: 4.648
local terms energy: -432.250157
where:
bonds (distance) C4'-P energy: -115.755
bonds (distance) P-C4' energy: -140.760
flat angles C4'-P-C4' energy: -141.813
flat angles P-C4'-P energy: -68.877
tors. eta vs tors. theta energy: 34.956
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: 365
Temperature: 0.900000
Total energy: -3057.967250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3057.967250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3057.967250 (E_RNA)
where:
Base-Base interactions energy: -2065.931
where: short stacking energy: -887.971
Base-Backbone interact. energy: -2.716
local terms energy: -989.321025
where:
bonds (distance) C4'-P energy: -189.059
bonds (distance) P-C4' energy: -189.883
flat angles C4'-P-C4' energy: -199.523
flat angles P-C4'-P energy: -141.440
tors. eta vs tors. theta energy: -269.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2982.991911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.991911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.991911 (E_RNA)
where:
Base-Base interactions energy: -2075.007
where: short stacking energy: -835.560
Base-Backbone interact. energy: -4.440
local terms energy: -903.544572
where:
bonds (distance) C4'-P energy: -167.795
bonds (distance) P-C4' energy: -173.978
flat angles C4'-P-C4' energy: -178.257
flat angles P-C4'-P energy: -136.118
tors. eta vs tors. theta energy: -247.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2748.666158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.666158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.666158 (E_RNA)
where:
Base-Base interactions energy: -1897.058
where: short stacking energy: -789.566
Base-Backbone interact. energy: -3.855
local terms energy: -847.753070
where:
bonds (distance) C4'-P energy: -173.568
bonds (distance) P-C4' energy: -161.363
flat angles C4'-P-C4' energy: -182.700
flat angles P-C4'-P energy: -124.754
tors. eta vs tors. theta energy: -205.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2636.063331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.063331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.063331 (E_RNA)
where:
Base-Base interactions energy: -1730.039
where: short stacking energy: -775.537
Base-Backbone interact. energy: -3.929
local terms energy: -902.095347
where:
bonds (distance) C4'-P energy: -161.175
bonds (distance) P-C4' energy: -170.536
flat angles C4'-P-C4' energy: -200.862
flat angles P-C4'-P energy: -138.302
tors. eta vs tors. theta energy: -231.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2408.372750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.372750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.372750 (E_RNA)
where:
Base-Base interactions energy: -1589.079
where: short stacking energy: -691.187
Base-Backbone interact. energy: -3.989
local terms energy: -815.304876
where:
bonds (distance) C4'-P energy: -165.920
bonds (distance) P-C4' energy: -167.431
flat angles C4'-P-C4' energy: -183.693
flat angles P-C4'-P energy: -117.252
tors. eta vs tors. theta energy: -181.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2311.880987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.880987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.880987 (E_RNA)
where:
Base-Base interactions energy: -1535.733
where: short stacking energy: -667.446
Base-Backbone interact. energy: -2.093
local terms energy: -774.054593
where:
bonds (distance) C4'-P energy: -155.991
bonds (distance) P-C4' energy: -170.785
flat angles C4'-P-C4' energy: -165.403
flat angles P-C4'-P energy: -105.748
tors. eta vs tors. theta energy: -176.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2049.203102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.203102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.203102 (E_RNA)
where:
Base-Base interactions energy: -1358.136
where: short stacking energy: -590.252
Base-Backbone interact. energy: -3.505
local terms energy: -687.562480
where:
bonds (distance) C4'-P energy: -128.602
bonds (distance) P-C4' energy: -159.438
flat angles C4'-P-C4' energy: -158.186
flat angles P-C4'-P energy: -101.540
tors. eta vs tors. theta energy: -139.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1297.328415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.328415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.328415 (E_RNA)
where:
Base-Base interactions energy: -709.644
where: short stacking energy: -374.562
Base-Backbone interact. energy: 0.801
local terms energy: -588.485460
where:
bonds (distance) C4'-P energy: -136.670
bonds (distance) P-C4' energy: -150.733
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -104.438
tors. eta vs tors. theta energy: -48.985
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: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -987.859446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.859446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.859446 (E_RNA)
where:
Base-Base interactions energy: -505.900
where: short stacking energy: -294.224
Base-Backbone interact. energy: 2.002
local terms energy: -483.961004
where:
bonds (distance) C4'-P energy: -109.359
bonds (distance) P-C4' energy: -153.677
flat angles C4'-P-C4' energy: -127.164
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: 7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -840.696898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.696898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.696898 (E_RNA)
where:
Base-Base interactions energy: -402.087
where: short stacking energy: -257.106
Base-Backbone interact. energy: -3.137
local terms energy: -435.473615
where:
bonds (distance) C4'-P energy: -122.126
bonds (distance) P-C4' energy: -137.331
flat angles C4'-P-C4' energy: -113.803
flat angles P-C4'-P energy: -80.765
tors. eta vs tors. theta energy: 18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -3074.412722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.412722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.412722 (E_RNA)
where:
Base-Base interactions energy: -2151.750
where: short stacking energy: -855.921
Base-Backbone interact. energy: -5.208
local terms energy: -917.455357
where:
bonds (distance) C4'-P energy: -170.089
bonds (distance) P-C4' energy: -167.324
flat angles C4'-P-C4' energy: -183.761
flat angles P-C4'-P energy: -138.024
tors. eta vs tors. theta energy: -258.258
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: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -3015.955767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3015.955767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3015.955767 (E_RNA)
where:
Base-Base interactions energy: -2041.520
where: short stacking energy: -871.449
Base-Backbone interact. energy: -4.863
local terms energy: -969.572840
where:
bonds (distance) C4'-P energy: -179.739
bonds (distance) P-C4' energy: -185.897
flat angles C4'-P-C4' energy: -201.349
flat angles P-C4'-P energy: -127.136
tors. eta vs tors. theta energy: -275.452
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: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2740.505403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.505403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.505403 (E_RNA)
where:
Base-Base interactions energy: -1841.965
where: short stacking energy: -814.524
Base-Backbone interact. energy: -3.617
local terms energy: -894.922941
where:
bonds (distance) C4'-P energy: -177.604
bonds (distance) P-C4' energy: -178.566
flat angles C4'-P-C4' energy: -184.557
flat angles P-C4'-P energy: -125.786
tors. eta vs tors. theta energy: -228.409
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: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2606.785962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.785962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.785962 (E_RNA)
where:
Base-Base interactions energy: -1708.091
where: short stacking energy: -775.778
Base-Backbone interact. energy: 0.519
local terms energy: -899.214147
where:
bonds (distance) C4'-P energy: -173.374
bonds (distance) P-C4' energy: -173.972
flat angles C4'-P-C4' energy: -188.979
flat angles P-C4'-P energy: -125.872
tors. eta vs tors. theta energy: -237.017
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: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2380.236782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.236782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.236782 (E_RNA)
where:
Base-Base interactions energy: -1600.033
where: short stacking energy: -679.058
Base-Backbone interact. energy: -5.525
local terms energy: -774.678853
where:
bonds (distance) C4'-P energy: -156.605
bonds (distance) P-C4' energy: -159.013
flat angles C4'-P-C4' energy: -175.201
flat angles P-C4'-P energy: -90.733
tors. eta vs tors. theta energy: -193.127
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: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2345.055069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.055069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.055069 (E_RNA)
where:
Base-Base interactions energy: -1536.118
where: short stacking energy: -679.188
Base-Backbone interact. energy: -3.666
local terms energy: -805.271429
where:
bonds (distance) C4'-P energy: -158.270
bonds (distance) P-C4' energy: -167.146
flat angles C4'-P-C4' energy: -173.037
flat angles P-C4'-P energy: -114.280
tors. eta vs tors. theta energy: -192.540
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2028.439352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.439352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.439352 (E_RNA)
where:
Base-Base interactions energy: -1343.663
where: short stacking energy: -583.689
Base-Backbone interact. energy: 3.961
local terms energy: -688.737526
where:
bonds (distance) C4'-P energy: -135.734
bonds (distance) P-C4' energy: -154.508
flat angles C4'-P-C4' energy: -170.312
flat angles P-C4'-P energy: -94.052
tors. eta vs tors. theta energy: -134.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1261.717697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.717697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.717697 (E_RNA)
where:
Base-Base interactions energy: -693.742
where: short stacking energy: -363.249
Base-Backbone interact. energy: -3.340
local terms energy: -564.636235
where:
bonds (distance) C4'-P energy: -147.093
bonds (distance) P-C4' energy: -158.745
flat angles C4'-P-C4' energy: -134.926
flat angles P-C4'-P energy: -80.614
tors. eta vs tors. theta energy: -43.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1004.035778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.035778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.035778 (E_RNA)
where:
Base-Base interactions energy: -507.364
where: short stacking energy: -278.091
Base-Backbone interact. energy: 0.731
local terms energy: -497.402680
where:
bonds (distance) C4'-P energy: -150.901
bonds (distance) P-C4' energy: -141.387
flat angles C4'-P-C4' energy: -132.320
flat angles P-C4'-P energy: -78.448
tors. eta vs tors. theta energy: 5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -790.072761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.072761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.072761 (E_RNA)
where:
Base-Base interactions energy: -361.230
where: short stacking energy: -222.454
Base-Backbone interact. energy: 3.190
local terms energy: -432.032183
where:
bonds (distance) C4'-P energy: -137.805
bonds (distance) P-C4' energy: -149.238
flat angles C4'-P-C4' energy: -111.024
flat angles P-C4'-P energy: -47.252
tors. eta vs tors. theta energy: 13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -3048.449355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3048.449355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3048.449355 (E_RNA)
where:
Base-Base interactions energy: -2144.713
where: short stacking energy: -859.786
Base-Backbone interact. energy: -1.385
local terms energy: -902.351922
where:
bonds (distance) C4'-P energy: -182.650
bonds (distance) P-C4' energy: -158.651
flat angles C4'-P-C4' energy: -187.551
flat angles P-C4'-P energy: -131.652
tors. eta vs tors. theta energy: -241.848
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -3002.358061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.358061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.358061 (E_RNA)
where:
Base-Base interactions energy: -2053.544
where: short stacking energy: -884.799
Base-Backbone interact. energy: -3.831
local terms energy: -944.982761
where:
bonds (distance) C4'-P energy: -160.839
bonds (distance) P-C4' energy: -163.099
flat angles C4'-P-C4' energy: -204.455
flat angles P-C4'-P energy: -137.867
tors. eta vs tors. theta energy: -278.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2771.311143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.311143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.311143 (E_RNA)
where:
Base-Base interactions energy: -1894.079
where: short stacking energy: -733.897
Base-Backbone interact. energy: -2.612
local terms energy: -874.620284
where:
bonds (distance) C4'-P energy: -166.022
bonds (distance) P-C4' energy: -184.992
flat angles C4'-P-C4' energy: -191.812
flat angles P-C4'-P energy: -119.774
tors. eta vs tors. theta energy: -212.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2633.526355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.526355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.526355 (E_RNA)
where:
Base-Base interactions energy: -1741.985
where: short stacking energy: -811.833
Base-Backbone interact. energy: -3.276
local terms energy: -888.265884
where:
bonds (distance) C4'-P energy: -164.460
bonds (distance) P-C4' energy: -156.760
flat angles C4'-P-C4' energy: -201.023
flat angles P-C4'-P energy: -124.556
tors. eta vs tors. theta energy: -241.466
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: 367
Temperature: 1.100000
Total energy: -2425.680077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.680077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.680077 (E_RNA)
where:
Base-Base interactions energy: -1622.646
where: short stacking energy: -715.881
Base-Backbone interact. energy: -2.397
local terms energy: -800.636802
where:
bonds (distance) C4'-P energy: -168.732
bonds (distance) P-C4' energy: -152.315
flat angles C4'-P-C4' energy: -164.717
flat angles P-C4'-P energy: -115.926
tors. eta vs tors. theta energy: -198.947
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: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2311.230530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.230530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.230530 (E_RNA)
where:
Base-Base interactions energy: -1545.374
where: short stacking energy: -662.264
Base-Backbone interact. energy: -3.844
local terms energy: -762.012587
where:
bonds (distance) C4'-P energy: -165.712
bonds (distance) P-C4' energy: -135.400
flat angles C4'-P-C4' energy: -170.025
flat angles P-C4'-P energy: -109.791
tors. eta vs tors. theta energy: -181.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2060.945192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.945192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.945192 (E_RNA)
where:
Base-Base interactions energy: -1315.249
where: short stacking energy: -595.186
Base-Backbone interact. energy: 1.775
local terms energy: -747.471083
where:
bonds (distance) C4'-P energy: -146.828
bonds (distance) P-C4' energy: -170.160
flat angles C4'-P-C4' energy: -182.459
flat angles P-C4'-P energy: -108.749
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1273.569491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.569491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.569491 (E_RNA)
where:
Base-Base interactions energy: -714.369
where: short stacking energy: -363.516
Base-Backbone interact. energy: 3.920
local terms energy: -563.120619
where:
bonds (distance) C4'-P energy: -119.408
bonds (distance) P-C4' energy: -169.919
flat angles C4'-P-C4' energy: -159.772
flat angles P-C4'-P energy: -74.363
tors. eta vs tors. theta energy: -39.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1003.498866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.498866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.498866 (E_RNA)
where:
Base-Base interactions energy: -476.542
where: short stacking energy: -293.179
Base-Backbone interact. energy: 1.154
local terms energy: -528.111072
where:
bonds (distance) C4'-P energy: -135.104
bonds (distance) P-C4' energy: -170.709
flat angles C4'-P-C4' energy: -119.346
flat angles P-C4'-P energy: -84.145
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -867.455594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.455594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.455594 (E_RNA)
where:
Base-Base interactions energy: -385.530
where: short stacking energy: -190.850
Base-Backbone interact. energy: 2.452
local terms energy: -484.377461
where:
bonds (distance) C4'-P energy: -157.367
bonds (distance) P-C4' energy: -144.329
flat angles C4'-P-C4' energy: -135.342
flat angles P-C4'-P energy: -76.559
tors. eta vs tors. theta energy: 29.220
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -3057.308887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3057.308887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3057.308887 (E_RNA)
where:
Base-Base interactions energy: -2152.757
where: short stacking energy: -868.490
Base-Backbone interact. energy: -4.728
local terms energy: -899.824538
where:
bonds (distance) C4'-P energy: -180.216
bonds (distance) P-C4' energy: -163.264
flat angles C4'-P-C4' energy: -175.151
flat angles P-C4'-P energy: -130.124
tors. eta vs tors. theta energy: -251.070
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: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -3010.867722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.867722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.867722 (E_RNA)
where:
Base-Base interactions energy: -2036.070
where: short stacking energy: -883.261
Base-Backbone interact. energy: -1.626
local terms energy: -973.172498
where:
bonds (distance) C4'-P energy: -174.651
bonds (distance) P-C4' energy: -185.104
flat angles C4'-P-C4' energy: -199.260
flat angles P-C4'-P energy: -133.646
tors. eta vs tors. theta energy: -280.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2780.476950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.476950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.476950 (E_RNA)
where:
Base-Base interactions energy: -1914.536
where: short stacking energy: -801.739
Base-Backbone interact. energy: -1.678
local terms energy: -864.262542
where:
bonds (distance) C4'-P energy: -160.924
bonds (distance) P-C4' energy: -157.581
flat angles C4'-P-C4' energy: -196.616
flat angles P-C4'-P energy: -126.386
tors. eta vs tors. theta energy: -222.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2666.483231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.483231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.483231 (E_RNA)
where:
Base-Base interactions energy: -1771.403
where: short stacking energy: -779.008
Base-Backbone interact. energy: -1.951
local terms energy: -893.129185
where:
bonds (distance) C4'-P energy: -173.869
bonds (distance) P-C4' energy: -176.981
flat angles C4'-P-C4' energy: -190.440
flat angles P-C4'-P energy: -117.751
tors. eta vs tors. theta energy: -234.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2395.724517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.724517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.724517 (E_RNA)
where:
Base-Base interactions energy: -1581.917
where: short stacking energy: -684.348
Base-Backbone interact. energy: -6.841
local terms energy: -806.965897
where:
bonds (distance) C4'-P energy: -159.131
bonds (distance) P-C4' energy: -174.704
flat angles C4'-P-C4' energy: -160.732
flat angles P-C4'-P energy: -121.339
tors. eta vs tors. theta energy: -191.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2291.513641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.513641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.513641 (E_RNA)
where:
Base-Base interactions energy: -1526.742
where: short stacking energy: -669.452
Base-Backbone interact. energy: 1.982
local terms energy: -766.753932
where:
bonds (distance) C4'-P energy: -159.328
bonds (distance) P-C4' energy: -147.678
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -117.913
tors. eta vs tors. theta energy: -179.127
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: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1988.834059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.834059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.834059 (E_RNA)
where:
Base-Base interactions energy: -1290.604
where: short stacking energy: -571.039
Base-Backbone interact. energy: -2.322
local terms energy: -695.908239
where:
bonds (distance) C4'-P energy: -155.347
bonds (distance) P-C4' energy: -144.437
flat angles C4'-P-C4' energy: -170.765
flat angles P-C4'-P energy: -102.488
tors. eta vs tors. theta energy: -122.871
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1301.214765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.214765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.214765 (E_RNA)
where:
Base-Base interactions energy: -721.644
where: short stacking energy: -385.325
Base-Backbone interact. energy: 4.286
local terms energy: -583.857306
where:
bonds (distance) C4'-P energy: -142.661
bonds (distance) P-C4' energy: -168.384
flat angles C4'-P-C4' energy: -148.333
flat angles P-C4'-P energy: -79.719
tors. eta vs tors. theta energy: -44.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -942.818898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.818898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.818898 (E_RNA)
where:
Base-Base interactions energy: -438.282
where: short stacking energy: -272.553
Base-Backbone interact. energy: 5.845
local terms energy: -510.382143
where:
bonds (distance) C4'-P energy: -139.875
bonds (distance) P-C4' energy: -162.011
flat angles C4'-P-C4' energy: -126.728
flat angles P-C4'-P energy: -90.320
tors. eta vs tors. theta energy: 8.552
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: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -916.375607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.375607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.375607 (E_RNA)
where:
Base-Base interactions energy: -462.789
where: short stacking energy: -254.579
Base-Backbone interact. energy: 0.813
local terms energy: -454.399036
where:
bonds (distance) C4'-P energy: -137.504
bonds (distance) P-C4' energy: -151.301
flat angles C4'-P-C4' energy: -109.990
flat angles P-C4'-P energy: -77.252
tors. eta vs tors. theta energy: 21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -3091.444214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3091.444214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3091.444214 (E_RNA)
where:
Base-Base interactions energy: -2127.462
where: short stacking energy: -867.622
Base-Backbone interact. energy: -0.752
local terms energy: -963.229543
where:
bonds (distance) C4'-P energy: -181.553
bonds (distance) P-C4' energy: -186.112
flat angles C4'-P-C4' energy: -194.197
flat angles P-C4'-P energy: -143.652
tors. eta vs tors. theta energy: -257.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -3025.011101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.011101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.011101 (E_RNA)
where:
Base-Base interactions energy: -2063.420
where: short stacking energy: -861.149
Base-Backbone interact. energy: -0.207
local terms energy: -961.384023
where:
bonds (distance) C4'-P energy: -164.029
bonds (distance) P-C4' energy: -175.527
flat angles C4'-P-C4' energy: -198.891
flat angles P-C4'-P energy: -149.376
tors. eta vs tors. theta energy: -273.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2784.736495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.736495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.736495 (E_RNA)
where:
Base-Base interactions energy: -1918.620
where: short stacking energy: -798.545
Base-Backbone interact. energy: -1.276
local terms energy: -864.839617
where:
bonds (distance) C4'-P energy: -153.116
bonds (distance) P-C4' energy: -156.840
flat angles C4'-P-C4' energy: -200.539
flat angles P-C4'-P energy: -119.812
tors. eta vs tors. theta energy: -234.532
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: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2618.992133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.992133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.992133 (E_RNA)
where:
Base-Base interactions energy: -1735.521
where: short stacking energy: -797.780
Base-Backbone interact. energy: 0.655
local terms energy: -884.125407
where:
bonds (distance) C4'-P energy: -172.316
bonds (distance) P-C4' energy: -153.719
flat angles C4'-P-C4' energy: -191.069
flat angles P-C4'-P energy: -131.901
tors. eta vs tors. theta energy: -235.119
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: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2362.578963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.578963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.578963 (E_RNA)
where:
Base-Base interactions energy: -1575.444
where: short stacking energy: -699.335
Base-Backbone interact. energy: -0.007
local terms energy: -787.127478
where:
bonds (distance) C4'-P energy: -154.257
bonds (distance) P-C4' energy: -159.985
flat angles C4'-P-C4' energy: -191.534
flat angles P-C4'-P energy: -108.568
tors. eta vs tors. theta energy: -172.784
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: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2275.472180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.472180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.472180 (E_RNA)
where:
Base-Base interactions energy: -1488.504
where: short stacking energy: -658.522
Base-Backbone interact. energy: -0.910
local terms energy: -786.058328
where:
bonds (distance) C4'-P energy: -160.559
bonds (distance) P-C4' energy: -162.681
flat angles C4'-P-C4' energy: -173.742
flat angles P-C4'-P energy: -110.947
tors. eta vs tors. theta energy: -178.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1954.130902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.130902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.130902 (E_RNA)
where:
Base-Base interactions energy: -1272.597
where: short stacking energy: -586.591
Base-Backbone interact. energy: 1.547
local terms energy: -683.081547
where:
bonds (distance) C4'-P energy: -124.307
bonds (distance) P-C4' energy: -156.137
flat angles C4'-P-C4' energy: -158.090
flat angles P-C4'-P energy: -103.934
tors. eta vs tors. theta energy: -140.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1305.360615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.360615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.360615 (E_RNA)
where:
Base-Base interactions energy: -717.948
where: short stacking energy: -388.706
Base-Backbone interact. energy: 1.262
local terms energy: -588.674981
where:
bonds (distance) C4'-P energy: -135.426
bonds (distance) P-C4' energy: -154.331
flat angles C4'-P-C4' energy: -152.449
flat angles P-C4'-P energy: -97.705
tors. eta vs tors. theta energy: -48.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1017.649689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.649689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.649689 (E_RNA)
where:
Base-Base interactions energy: -536.677
where: short stacking energy: -290.303
Base-Backbone interact. energy: 4.355
local terms energy: -485.328226
where:
bonds (distance) C4'-P energy: -157.839
bonds (distance) P-C4' energy: -128.918
flat angles C4'-P-C4' energy: -128.412
flat angles P-C4'-P energy: -62.567
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -860.175698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.175698 (E_RNA)
where:
Base-Base interactions energy: -385.413
where: short stacking energy: -238.194
Base-Backbone interact. energy: 2.080
local terms energy: -476.842529
where:
bonds (distance) C4'-P energy: -130.766
bonds (distance) P-C4' energy: -157.956
flat angles C4'-P-C4' energy: -117.868
flat angles P-C4'-P energy: -78.749
tors. eta vs tors. theta energy: 8.497
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: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -3133.656125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3133.656125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3133.656125 (E_RNA)
where:
Base-Base interactions energy: -2162.308
where: short stacking energy: -880.720
Base-Backbone interact. energy: -3.762
local terms energy: -967.585648
where:
bonds (distance) C4'-P energy: -179.639
bonds (distance) P-C4' energy: -186.120
flat angles C4'-P-C4' energy: -198.917
flat angles P-C4'-P energy: -141.913
tors. eta vs tors. theta energy: -260.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -3021.868207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3021.868207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3021.868207 (E_RNA)
where:
Base-Base interactions energy: -2058.076
where: short stacking energy: -878.277
Base-Backbone interact. energy: -4.506
local terms energy: -959.286227
where:
bonds (distance) C4'-P energy: -177.145
bonds (distance) P-C4' energy: -173.560
flat angles C4'-P-C4' energy: -199.896
flat angles P-C4'-P energy: -139.988
tors. eta vs tors. theta energy: -268.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2791.553016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.553016 (E_RNA)
where:
Base-Base interactions energy: -1919.233
where: short stacking energy: -775.365
Base-Backbone interact. energy: -1.716
local terms energy: -870.604641
where:
bonds (distance) C4'-P energy: -167.101
bonds (distance) P-C4' energy: -186.119
flat angles C4'-P-C4' energy: -182.403
flat angles P-C4'-P energy: -108.171
tors. eta vs tors. theta energy: -226.812
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: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2610.515902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.515902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.515902 (E_RNA)
where:
Base-Base interactions energy: -1728.421
where: short stacking energy: -799.142
Base-Backbone interact. energy: -2.829
local terms energy: -879.265430
where:
bonds (distance) C4'-P energy: -160.258
bonds (distance) P-C4' energy: -160.943
flat angles C4'-P-C4' energy: -182.916
flat angles P-C4'-P energy: -131.961
tors. eta vs tors. theta energy: -243.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2385.613438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.613438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.613438 (E_RNA)
where:
Base-Base interactions energy: -1550.079
where: short stacking energy: -661.299
Base-Backbone interact. energy: 2.924
local terms energy: -838.458012
where:
bonds (distance) C4'-P energy: -175.082
bonds (distance) P-C4' energy: -183.980
flat angles C4'-P-C4' energy: -182.229
flat angles P-C4'-P energy: -110.187
tors. eta vs tors. theta energy: -186.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2280.382678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.382678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.382678 (E_RNA)
where:
Base-Base interactions energy: -1533.090
where: short stacking energy: -654.588
Base-Backbone interact. energy: -1.723
local terms energy: -745.569827
where:
bonds (distance) C4'-P energy: -151.383
bonds (distance) P-C4' energy: -151.398
flat angles C4'-P-C4' energy: -174.037
flat angles P-C4'-P energy: -98.993
tors. eta vs tors. theta energy: -169.758
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1927.667219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.667219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.667219 (E_RNA)
where:
Base-Base interactions energy: -1246.230
where: short stacking energy: -535.537
Base-Backbone interact. energy: 1.521
local terms energy: -682.957937
where:
bonds (distance) C4'-P energy: -163.812
bonds (distance) P-C4' energy: -142.299
flat angles C4'-P-C4' energy: -161.813
flat angles P-C4'-P energy: -99.072
tors. eta vs tors. theta energy: -115.963
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1321.690436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.690436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.690436 (E_RNA)
where:
Base-Base interactions energy: -729.789
where: short stacking energy: -387.797
Base-Backbone interact. energy: 1.792
local terms energy: -593.693540
where:
bonds (distance) C4'-P energy: -157.830
bonds (distance) P-C4' energy: -162.120
flat angles C4'-P-C4' energy: -159.833
flat angles P-C4'-P energy: -77.522
tors. eta vs tors. theta energy: -36.388
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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1112.931043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.931043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.931043 (E_RNA)
where:
Base-Base interactions energy: -560.496
where: short stacking energy: -313.929
Base-Backbone interact. energy: -1.128
local terms energy: -551.307553
where:
bonds (distance) C4'-P energy: -167.181
bonds (distance) P-C4' energy: -150.642
flat angles C4'-P-C4' energy: -129.608
flat angles P-C4'-P energy: -83.745
tors. eta vs tors. theta energy: -20.132
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: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -843.988178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.988178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.988178 (E_RNA)
where:
Base-Base interactions energy: -410.363
where: short stacking energy: -222.499
Base-Backbone interact. energy: 6.731
local terms energy: -440.355595
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -149.154
flat angles C4'-P-C4' energy: -120.039
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: 27.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -3143.165315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3143.165315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3143.165315 (E_RNA)
where:
Base-Base interactions energy: -2197.264
where: short stacking energy: -867.304
Base-Backbone interact. energy: -1.301
local terms energy: -944.599631
where:
bonds (distance) C4'-P energy: -179.420
bonds (distance) P-C4' energy: -166.289
flat angles C4'-P-C4' energy: -203.397
flat angles P-C4'-P energy: -132.697
tors. eta vs tors. theta energy: -262.796
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: 371
Temperature: 0.950000
Total energy: -2992.152213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.152213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.152213 (E_RNA)
where:
Base-Base interactions energy: -2028.033
where: short stacking energy: -887.543
Base-Backbone interact. energy: -2.805
local terms energy: -961.314582
where:
bonds (distance) C4'-P energy: -180.625
bonds (distance) P-C4' energy: -187.351
flat angles C4'-P-C4' energy: -196.027
flat angles P-C4'-P energy: -129.527
tors. eta vs tors. theta energy: -267.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2779.629256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.629256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.629256 (E_RNA)
where:
Base-Base interactions energy: -1879.716
where: short stacking energy: -790.185
Base-Backbone interact. energy: -5.279
local terms energy: -894.634971
where:
bonds (distance) C4'-P energy: -177.780
bonds (distance) P-C4' energy: -157.356
flat angles C4'-P-C4' energy: -200.428
flat angles P-C4'-P energy: -120.509
tors. eta vs tors. theta energy: -238.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2622.862460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.862460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.862460 (E_RNA)
where:
Base-Base interactions energy: -1769.404
where: short stacking energy: -797.816
Base-Backbone interact. energy: -2.529
local terms energy: -850.930109
where:
bonds (distance) C4'-P energy: -156.706
bonds (distance) P-C4' energy: -158.081
flat angles C4'-P-C4' energy: -179.261
flat angles P-C4'-P energy: -109.311
tors. eta vs tors. theta energy: -247.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2325.442401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.442401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.442401 (E_RNA)
where:
Base-Base interactions energy: -1538.051
where: short stacking energy: -663.516
Base-Backbone interact. energy: -3.492
local terms energy: -783.900021
where:
bonds (distance) C4'-P energy: -155.517
bonds (distance) P-C4' energy: -161.065
flat angles C4'-P-C4' energy: -179.535
flat angles P-C4'-P energy: -123.943
tors. eta vs tors. theta energy: -163.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2281.174814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.174814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.174814 (E_RNA)
where:
Base-Base interactions energy: -1480.250
where: short stacking energy: -670.409
Base-Backbone interact. energy: -4.070
local terms energy: -796.855039
where:
bonds (distance) C4'-P energy: -176.190
bonds (distance) P-C4' energy: -145.812
flat angles C4'-P-C4' energy: -157.504
flat angles P-C4'-P energy: -131.788
tors. eta vs tors. theta energy: -185.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1977.768687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.768687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.768687 (E_RNA)
where:
Base-Base interactions energy: -1297.298
where: short stacking energy: -573.278
Base-Backbone interact. energy: -3.086
local terms energy: -677.384437
where:
bonds (distance) C4'-P energy: -153.688
bonds (distance) P-C4' energy: -161.714
flat angles C4'-P-C4' energy: -151.802
flat angles P-C4'-P energy: -97.764
tors. eta vs tors. theta energy: -112.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1367.852492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.852492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.852492 (E_RNA)
where:
Base-Base interactions energy: -784.568
where: short stacking energy: -389.969
Base-Backbone interact. energy: 1.761
local terms energy: -585.045398
where:
bonds (distance) C4'-P energy: -159.038
bonds (distance) P-C4' energy: -159.628
flat angles C4'-P-C4' energy: -120.667
flat angles P-C4'-P energy: -111.648
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1128.325593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.325593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.325593 (E_RNA)
where:
Base-Base interactions energy: -582.821
where: short stacking energy: -314.778
Base-Backbone interact. energy: -3.468
local terms energy: -542.035943
where:
bonds (distance) C4'-P energy: -135.172
bonds (distance) P-C4' energy: -163.993
flat angles C4'-P-C4' energy: -148.850
flat angles P-C4'-P energy: -79.602
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -900.862373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.862373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.862373 (E_RNA)
where:
Base-Base interactions energy: -436.094
where: short stacking energy: -278.574
Base-Backbone interact. energy: -2.319
local terms energy: -462.448751
where:
bonds (distance) C4'-P energy: -125.502
bonds (distance) P-C4' energy: -162.130
flat angles C4'-P-C4' energy: -113.884
flat angles P-C4'-P energy: -65.946
tors. eta vs tors. theta energy: 5.013
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: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -3150.998671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3150.998671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3150.998671 (E_RNA)
where:
Base-Base interactions energy: -2212.592
where: short stacking energy: -881.710
Base-Backbone interact. energy: -2.786
local terms energy: -935.620006
where:
bonds (distance) C4'-P energy: -178.050
bonds (distance) P-C4' energy: -185.203
flat angles C4'-P-C4' energy: -196.040
flat angles P-C4'-P energy: -132.857
tors. eta vs tors. theta energy: -243.470
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: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2955.476856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.476856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.476856 (E_RNA)
where:
Base-Base interactions energy: -1996.322
where: short stacking energy: -849.537
Base-Backbone interact. energy: -5.366
local terms energy: -953.789037
where:
bonds (distance) C4'-P energy: -169.761
bonds (distance) P-C4' energy: -183.206
flat angles C4'-P-C4' energy: -201.709
flat angles P-C4'-P energy: -125.436
tors. eta vs tors. theta energy: -273.677
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2707.515427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.515427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.515427 (E_RNA)
where:
Base-Base interactions energy: -1815.737
where: short stacking energy: -774.768
Base-Backbone interact. energy: 0.549
local terms energy: -892.327896
where:
bonds (distance) C4'-P energy: -174.236
bonds (distance) P-C4' energy: -177.213
flat angles C4'-P-C4' energy: -180.334
flat angles P-C4'-P energy: -131.621
tors. eta vs tors. theta energy: -228.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2646.359938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.359938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.359938 (E_RNA)
where:
Base-Base interactions energy: -1767.818
where: short stacking energy: -800.601
Base-Backbone interact. energy: -1.007
local terms energy: -877.534275
where:
bonds (distance) C4'-P energy: -163.372
bonds (distance) P-C4' energy: -160.147
flat angles C4'-P-C4' energy: -197.592
flat angles P-C4'-P energy: -108.785
tors. eta vs tors. theta energy: -247.638
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: 372
Temperature: 1.100000
Total energy: -2409.098615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.098615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.098615 (E_RNA)
where:
Base-Base interactions energy: -1617.550
where: short stacking energy: -673.602
Base-Backbone interact. energy: 0.117
local terms energy: -791.665736
where:
bonds (distance) C4'-P energy: -146.614
bonds (distance) P-C4' energy: -175.038
flat angles C4'-P-C4' energy: -173.778
flat angles P-C4'-P energy: -114.413
tors. eta vs tors. theta energy: -181.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2299.369409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.369409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.369409 (E_RNA)
where:
Base-Base interactions energy: -1524.709
where: short stacking energy: -653.538
Base-Backbone interact. energy: -2.862
local terms energy: -771.798371
where:
bonds (distance) C4'-P energy: -167.090
bonds (distance) P-C4' energy: -153.106
flat angles C4'-P-C4' energy: -172.429
flat angles P-C4'-P energy: -95.326
tors. eta vs tors. theta energy: -183.848
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1968.569336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.569336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.569336 (E_RNA)
where:
Base-Base interactions energy: -1272.456
where: short stacking energy: -539.153
Base-Backbone interact. energy: -1.457
local terms energy: -694.655992
where:
bonds (distance) C4'-P energy: -150.004
bonds (distance) P-C4' energy: -164.005
flat angles C4'-P-C4' energy: -176.691
flat angles P-C4'-P energy: -96.833
tors. eta vs tors. theta energy: -107.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1291.671003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.671003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.671003 (E_RNA)
where:
Base-Base interactions energy: -710.912
where: short stacking energy: -376.454
Base-Backbone interact. energy: 7.028
local terms energy: -587.786487
where:
bonds (distance) C4'-P energy: -153.404
bonds (distance) P-C4' energy: -162.743
flat angles C4'-P-C4' energy: -135.944
flat angles P-C4'-P energy: -102.305
tors. eta vs tors. theta energy: -33.390
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: 372
Temperature: 1.300000
Total energy: -1141.060964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.060964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.060964 (E_RNA)
where:
Base-Base interactions energy: -604.320
where: short stacking energy: -329.101
Base-Backbone interact. energy: -1.875
local terms energy: -534.866210
where:
bonds (distance) C4'-P energy: -130.890
bonds (distance) P-C4' energy: -163.715
flat angles C4'-P-C4' energy: -121.279
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -30.416
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: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -850.960462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.960462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.960462 (E_RNA)
where:
Base-Base interactions energy: -392.021
where: short stacking energy: -211.554
Base-Backbone interact. energy: 2.118
local terms energy: -461.057266
where:
bonds (distance) C4'-P energy: -150.875
bonds (distance) P-C4' energy: -150.214
flat angles C4'-P-C4' energy: -127.625
flat angles P-C4'-P energy: -68.219
tors. eta vs tors. theta energy: 35.876
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: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -3135.333232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3135.333232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3135.333232 (E_RNA)
where:
Base-Base interactions energy: -2184.620
where: short stacking energy: -855.117
Base-Backbone interact. energy: -5.957
local terms energy: -944.756412
where:
bonds (distance) C4'-P energy: -174.810
bonds (distance) P-C4' energy: -201.205
flat angles C4'-P-C4' energy: -183.066
flat angles P-C4'-P energy: -124.059
tors. eta vs tors. theta energy: -261.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2983.088392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.088392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.088392 (E_RNA)
where:
Base-Base interactions energy: -2019.604
where: short stacking energy: -851.529
Base-Backbone interact. energy: -4.572
local terms energy: -958.913189
where:
bonds (distance) C4'-P energy: -173.218
bonds (distance) P-C4' energy: -174.034
flat angles C4'-P-C4' energy: -205.246
flat angles P-C4'-P energy: -131.386
tors. eta vs tors. theta energy: -275.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2714.683485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.683485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.683485 (E_RNA)
where:
Base-Base interactions energy: -1834.754
where: short stacking energy: -789.946
Base-Backbone interact. energy: -4.378
local terms energy: -875.551475
where:
bonds (distance) C4'-P energy: -169.790
bonds (distance) P-C4' energy: -172.571
flat angles C4'-P-C4' energy: -179.631
flat angles P-C4'-P energy: -121.660
tors. eta vs tors. theta energy: -231.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2616.129765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.129765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.129765 (E_RNA)
where:
Base-Base interactions energy: -1745.970
where: short stacking energy: -784.838
Base-Backbone interact. energy: -2.996
local terms energy: -867.163722
where:
bonds (distance) C4'-P energy: -161.309
bonds (distance) P-C4' energy: -165.174
flat angles C4'-P-C4' energy: -181.600
flat angles P-C4'-P energy: -128.001
tors. eta vs tors. theta energy: -231.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2435.253114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.253114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.253114 (E_RNA)
where:
Base-Base interactions energy: -1653.450
where: short stacking energy: -695.728
Base-Backbone interact. energy: -0.647
local terms energy: -781.156273
where:
bonds (distance) C4'-P energy: -153.483
bonds (distance) P-C4' energy: -147.847
flat angles C4'-P-C4' energy: -182.303
flat angles P-C4'-P energy: -119.550
tors. eta vs tors. theta energy: -177.972
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: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2311.112041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.112041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.112041 (E_RNA)
where:
Base-Base interactions energy: -1528.544
where: short stacking energy: -678.453
Base-Backbone interact. energy: 0.159
local terms energy: -782.727440
where:
bonds (distance) C4'-P energy: -128.849
bonds (distance) P-C4' energy: -166.480
flat angles C4'-P-C4' energy: -169.273
flat angles P-C4'-P energy: -127.115
tors. eta vs tors. theta energy: -191.010
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: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2040.608447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.608447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.608447 (E_RNA)
where:
Base-Base interactions energy: -1309.497
where: short stacking energy: -586.685
Base-Backbone interact. energy: 0.244
local terms energy: -731.354850
where:
bonds (distance) C4'-P energy: -148.225
bonds (distance) P-C4' energy: -164.011
flat angles C4'-P-C4' energy: -174.587
flat angles P-C4'-P energy: -101.698
tors. eta vs tors. theta energy: -142.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1319.099516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.099516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.099516 (E_RNA)
where:
Base-Base interactions energy: -794.523
where: short stacking energy: -403.394
Base-Backbone interact. energy: 1.335
local terms energy: -525.910922
where:
bonds (distance) C4'-P energy: -136.684
bonds (distance) P-C4' energy: -129.291
flat angles C4'-P-C4' energy: -125.857
flat angles P-C4'-P energy: -90.716
tors. eta vs tors. theta energy: -43.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1104.269805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.269805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.269805 (E_RNA)
where:
Base-Base interactions energy: -599.324
where: short stacking energy: -303.116
Base-Backbone interact. energy: 4.564
local terms energy: -509.509845
where:
bonds (distance) C4'-P energy: -140.582
bonds (distance) P-C4' energy: -162.100
flat angles C4'-P-C4' energy: -137.043
flat angles P-C4'-P energy: -69.850
tors. eta vs tors. theta energy: 0.065
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: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -874.933526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.933526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.933526 (E_RNA)
where:
Base-Base interactions energy: -407.127
where: short stacking energy: -248.322
Base-Backbone interact. energy: 5.053
local terms energy: -472.859572
where:
bonds (distance) C4'-P energy: -164.600
bonds (distance) P-C4' energy: -140.057
flat angles C4'-P-C4' energy: -118.246
flat angles P-C4'-P energy: -71.485
tors. eta vs tors. theta energy: 21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -3158.241332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3158.241332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3158.241332 (E_RNA)
where:
Base-Base interactions energy: -2202.269
where: short stacking energy: -882.193
Base-Backbone interact. energy: -5.236
local terms energy: -950.736688
where:
bonds (distance) C4'-P energy: -179.934
bonds (distance) P-C4' energy: -182.652
flat angles C4'-P-C4' energy: -207.068
flat angles P-C4'-P energy: -125.876
tors. eta vs tors. theta energy: -255.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2979.486546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.486546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.486546 (E_RNA)
where:
Base-Base interactions energy: -2017.231
where: short stacking energy: -861.289
Base-Backbone interact. energy: -4.114
local terms energy: -958.140794
where:
bonds (distance) C4'-P energy: -167.055
bonds (distance) P-C4' energy: -182.631
flat angles C4'-P-C4' energy: -202.933
flat angles P-C4'-P energy: -137.035
tors. eta vs tors. theta energy: -268.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2688.920160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.920160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.920160 (E_RNA)
where:
Base-Base interactions energy: -1826.151
where: short stacking energy: -765.831
Base-Backbone interact. energy: 5.960
local terms energy: -868.730061
where:
bonds (distance) C4'-P energy: -174.002
bonds (distance) P-C4' energy: -166.646
flat angles C4'-P-C4' energy: -187.707
flat angles P-C4'-P energy: -128.653
tors. eta vs tors. theta energy: -211.722
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: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2567.051440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.051440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.051440 (E_RNA)
where:
Base-Base interactions energy: -1736.831
where: short stacking energy: -762.711
Base-Backbone interact. energy: 0.190
local terms energy: -830.411210
where:
bonds (distance) C4'-P energy: -149.189
bonds (distance) P-C4' energy: -167.999
flat angles C4'-P-C4' energy: -184.909
flat angles P-C4'-P energy: -107.319
tors. eta vs tors. theta energy: -220.995
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: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2406.984836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.984836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.984836 (E_RNA)
where:
Base-Base interactions energy: -1628.664
where: short stacking energy: -726.353
Base-Backbone interact. energy: -3.964
local terms energy: -774.356678
where:
bonds (distance) C4'-P energy: -137.737
bonds (distance) P-C4' energy: -160.356
flat angles C4'-P-C4' energy: -179.071
flat angles P-C4'-P energy: -113.618
tors. eta vs tors. theta energy: -183.575
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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2264.877113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.877113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.877113 (E_RNA)
where:
Base-Base interactions energy: -1539.954
where: short stacking energy: -657.063
Base-Backbone interact. energy: 2.376
local terms energy: -727.299480
where:
bonds (distance) C4'-P energy: -163.259
bonds (distance) P-C4' energy: -142.654
flat angles C4'-P-C4' energy: -160.773
flat angles P-C4'-P energy: -98.544
tors. eta vs tors. theta energy: -162.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1991.758880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.758880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.758880 (E_RNA)
where:
Base-Base interactions energy: -1308.930
where: short stacking energy: -588.155
Base-Backbone interact. energy: -1.885
local terms energy: -680.943924
where:
bonds (distance) C4'-P energy: -163.016
bonds (distance) P-C4' energy: -143.103
flat angles C4'-P-C4' energy: -145.353
flat angles P-C4'-P energy: -100.835
tors. eta vs tors. theta energy: -128.636
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1378.003559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.003559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.003559 (E_RNA)
where:
Base-Base interactions energy: -832.422
where: short stacking energy: -413.601
Base-Backbone interact. energy: -1.583
local terms energy: -543.998613
where:
bonds (distance) C4'-P energy: -148.715
bonds (distance) P-C4' energy: -150.207
flat angles C4'-P-C4' energy: -129.397
flat angles P-C4'-P energy: -61.387
tors. eta vs tors. theta energy: -54.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1044.797422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.797422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.797422 (E_RNA)
where:
Base-Base interactions energy: -549.690
where: short stacking energy: -281.719
Base-Backbone interact. energy: -4.188
local terms energy: -490.919391
where:
bonds (distance) C4'-P energy: -158.270
bonds (distance) P-C4' energy: -146.698
flat angles C4'-P-C4' energy: -121.459
flat angles P-C4'-P energy: -51.643
tors. eta vs tors. theta energy: -12.850
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: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -859.166261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.166261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.166261 (E_RNA)
where:
Base-Base interactions energy: -376.094
where: short stacking energy: -209.225
Base-Backbone interact. energy: -3.550
local terms energy: -479.522503
where:
bonds (distance) C4'-P energy: -141.608
bonds (distance) P-C4' energy: -156.120
flat angles C4'-P-C4' energy: -123.418
flat angles P-C4'-P energy: -62.749
tors. eta vs tors. theta energy: 4.373
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: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -3178.829731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3178.829731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3178.829731 (E_RNA)
where:
Base-Base interactions energy: -2207.719
where: short stacking energy: -886.688
Base-Backbone interact. energy: -2.985
local terms energy: -968.125696
where:
bonds (distance) C4'-P energy: -181.681
bonds (distance) P-C4' energy: -188.821
flat angles C4'-P-C4' energy: -190.247
flat angles P-C4'-P energy: -148.631
tors. eta vs tors. theta energy: -258.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2978.402271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.402271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.402271 (E_RNA)
where:
Base-Base interactions energy: -2023.140
where: short stacking energy: -873.710
Base-Backbone interact. energy: -2.566
local terms energy: -952.696560
where:
bonds (distance) C4'-P energy: -180.927
bonds (distance) P-C4' energy: -176.315
flat angles C4'-P-C4' energy: -197.376
flat angles P-C4'-P energy: -137.965
tors. eta vs tors. theta energy: -260.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2741.965775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.965775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.965775 (E_RNA)
where:
Base-Base interactions energy: -1875.744
where: short stacking energy: -780.119
Base-Backbone interact. energy: -2.551
local terms energy: -863.671371
where:
bonds (distance) C4'-P energy: -174.101
bonds (distance) P-C4' energy: -160.293
flat angles C4'-P-C4' energy: -196.332
flat angles P-C4'-P energy: -93.928
tors. eta vs tors. theta energy: -239.017
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: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2619.421631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.421631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.421631 (E_RNA)
where:
Base-Base interactions energy: -1736.098
where: short stacking energy: -785.339
Base-Backbone interact. energy: -1.708
local terms energy: -881.615588
where:
bonds (distance) C4'-P energy: -151.580
bonds (distance) P-C4' energy: -169.487
flat angles C4'-P-C4' energy: -198.771
flat angles P-C4'-P energy: -121.117
tors. eta vs tors. theta energy: -240.660
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: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2399.756658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.756658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.756658 (E_RNA)
where:
Base-Base interactions energy: -1594.742
where: short stacking energy: -733.860
Base-Backbone interact. energy: -2.613
local terms energy: -802.401611
where:
bonds (distance) C4'-P energy: -157.073
bonds (distance) P-C4' energy: -149.255
flat angles C4'-P-C4' energy: -185.850
flat angles P-C4'-P energy: -103.292
tors. eta vs tors. theta energy: -206.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2290.428080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.428080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.428080 (E_RNA)
where:
Base-Base interactions energy: -1547.008
where: short stacking energy: -678.631
Base-Backbone interact. energy: -2.625
local terms energy: -740.794418
where:
bonds (distance) C4'-P energy: -140.410
bonds (distance) P-C4' energy: -149.231
flat angles C4'-P-C4' energy: -170.898
flat angles P-C4'-P energy: -104.699
tors. eta vs tors. theta energy: -175.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2002.558795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.558795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.558795 (E_RNA)
where:
Base-Base interactions energy: -1304.102
where: short stacking energy: -562.965
Base-Backbone interact. energy: 1.481
local terms energy: -699.937466
where:
bonds (distance) C4'-P energy: -155.658
bonds (distance) P-C4' energy: -158.110
flat angles C4'-P-C4' energy: -153.614
flat angles P-C4'-P energy: -104.207
tors. eta vs tors. theta energy: -128.349
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: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1346.621192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.621192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.621192 (E_RNA)
where:
Base-Base interactions energy: -795.265
where: short stacking energy: -416.936
Base-Backbone interact. energy: 0.501
local terms energy: -551.857644
where:
bonds (distance) C4'-P energy: -128.070
bonds (distance) P-C4' energy: -135.529
flat angles C4'-P-C4' energy: -147.404
flat angles P-C4'-P energy: -91.291
tors. eta vs tors. theta energy: -49.563
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: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1101.647005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.647005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.647005 (E_RNA)
where:
Base-Base interactions energy: -582.037
where: short stacking energy: -318.285
Base-Backbone interact. energy: -0.958
local terms energy: -518.651409
where:
bonds (distance) C4'-P energy: -140.084
bonds (distance) P-C4' energy: -139.985
flat angles C4'-P-C4' energy: -128.626
flat angles P-C4'-P energy: -88.851
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -827.769472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.769472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.769472 (E_RNA)
where:
Base-Base interactions energy: -371.554
where: short stacking energy: -241.729
Base-Backbone interact. energy: 15.375
local terms energy: -471.590596
where:
bonds (distance) C4'-P energy: -147.283
bonds (distance) P-C4' energy: -141.534
flat angles C4'-P-C4' energy: -119.153
flat angles P-C4'-P energy: -73.915
tors. eta vs tors. theta energy: 10.296
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -3144.768344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3144.768344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3144.768344 (E_RNA)
where:
Base-Base interactions energy: -2223.919
where: short stacking energy: -873.297
Base-Backbone interact. energy: -0.472
local terms energy: -920.377311
where:
bonds (distance) C4'-P energy: -171.466
bonds (distance) P-C4' energy: -164.996
flat angles C4'-P-C4' energy: -197.868
flat angles P-C4'-P energy: -131.986
tors. eta vs tors. theta energy: -254.061
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: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2958.924262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.924262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.924262 (E_RNA)
where:
Base-Base interactions energy: -2048.032
where: short stacking energy: -841.689
Base-Backbone interact. energy: -7.411
local terms energy: -903.481371
where:
bonds (distance) C4'-P energy: -162.784
bonds (distance) P-C4' energy: -168.327
flat angles C4'-P-C4' energy: -192.930
flat angles P-C4'-P energy: -123.518
tors. eta vs tors. theta energy: -255.923
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: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2748.013804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.013804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.013804 (E_RNA)
where:
Base-Base interactions energy: -1838.104
where: short stacking energy: -772.713
Base-Backbone interact. energy: -1.883
local terms energy: -908.025930
where:
bonds (distance) C4'-P energy: -188.347
bonds (distance) P-C4' energy: -179.630
flat angles C4'-P-C4' energy: -187.008
flat angles P-C4'-P energy: -119.688
tors. eta vs tors. theta energy: -233.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2620.962061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.962061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.962061 (E_RNA)
where:
Base-Base interactions energy: -1718.892
where: short stacking energy: -788.925
Base-Backbone interact. energy: 2.482
local terms energy: -904.551708
where:
bonds (distance) C4'-P energy: -176.553
bonds (distance) P-C4' energy: -164.382
flat angles C4'-P-C4' energy: -184.139
flat angles P-C4'-P energy: -140.860
tors. eta vs tors. theta energy: -238.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2387.084579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.084579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.084579 (E_RNA)
where:
Base-Base interactions energy: -1617.840
where: short stacking energy: -713.447
Base-Backbone interact. energy: -2.444
local terms energy: -766.800633
where:
bonds (distance) C4'-P energy: -146.609
bonds (distance) P-C4' energy: -158.636
flat angles C4'-P-C4' energy: -170.619
flat angles P-C4'-P energy: -104.112
tors. eta vs tors. theta energy: -186.824
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: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2282.168546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.168546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.168546 (E_RNA)
where:
Base-Base interactions energy: -1488.253
where: short stacking energy: -672.190
Base-Backbone interact. energy: -1.097
local terms energy: -792.818743
where:
bonds (distance) C4'-P energy: -162.527
bonds (distance) P-C4' energy: -141.297
flat angles C4'-P-C4' energy: -192.165
flat angles P-C4'-P energy: -113.958
tors. eta vs tors. theta energy: -182.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1969.279329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.279329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.279329 (E_RNA)
where:
Base-Base interactions energy: -1279.834
where: short stacking energy: -554.195
Base-Backbone interact. energy: 19.881
local terms energy: -709.325802
where:
bonds (distance) C4'-P energy: -133.249
bonds (distance) P-C4' energy: -157.194
flat angles C4'-P-C4' energy: -173.249
flat angles P-C4'-P energy: -98.737
tors. eta vs tors. theta energy: -146.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1308.142408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.142408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.142408 (E_RNA)
where:
Base-Base interactions energy: -750.537
where: short stacking energy: -391.354
Base-Backbone interact. energy: -1.522
local terms energy: -556.083932
where:
bonds (distance) C4'-P energy: -142.909
bonds (distance) P-C4' energy: -128.985
flat angles C4'-P-C4' energy: -153.570
flat angles P-C4'-P energy: -84.554
tors. eta vs tors. theta energy: -46.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1061.249650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.249650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.249650 (E_RNA)
where:
Base-Base interactions energy: -535.505
where: short stacking energy: -280.883
Base-Backbone interact. energy: -2.145
local terms energy: -523.600273
where:
bonds (distance) C4'-P energy: -153.186
bonds (distance) P-C4' energy: -153.215
flat angles C4'-P-C4' energy: -145.756
flat angles P-C4'-P energy: -67.698
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -827.189941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.189941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.189941 (E_RNA)
where:
Base-Base interactions energy: -369.160
where: short stacking energy: -216.568
Base-Backbone interact. energy: 0.837
local terms energy: -458.866310
where:
bonds (distance) C4'-P energy: -150.822
bonds (distance) P-C4' energy: -140.280
flat angles C4'-P-C4' energy: -113.063
flat angles P-C4'-P energy: -73.658
tors. eta vs tors. theta energy: 18.957
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: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -3118.538068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3118.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3118.538068 (E_RNA)
where:
Base-Base interactions energy: -2188.796
where: short stacking energy: -855.764
Base-Backbone interact. energy: -2.432
local terms energy: -927.310246
where:
bonds (distance) C4'-P energy: -181.611
bonds (distance) P-C4' energy: -170.849
flat angles C4'-P-C4' energy: -201.807
flat angles P-C4'-P energy: -122.633
tors. eta vs tors. theta energy: -250.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2993.054434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.054434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.054434 (E_RNA)
where:
Base-Base interactions energy: -2053.806
where: short stacking energy: -884.143
Base-Backbone interact. energy: -3.376
local terms energy: -935.872872
where:
bonds (distance) C4'-P energy: -154.706
bonds (distance) P-C4' energy: -185.825
flat angles C4'-P-C4' energy: -198.339
flat angles P-C4'-P energy: -125.488
tors. eta vs tors. theta energy: -271.515
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: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2716.681955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.681955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.681955 (E_RNA)
where:
Base-Base interactions energy: -1839.717
where: short stacking energy: -804.354
Base-Backbone interact. energy: -3.894
local terms energy: -873.070827
where:
bonds (distance) C4'-P energy: -165.846
bonds (distance) P-C4' energy: -173.924
flat angles C4'-P-C4' energy: -191.128
flat angles P-C4'-P energy: -112.572
tors. eta vs tors. theta energy: -229.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2604.805453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.805453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.805453 (E_RNA)
where:
Base-Base interactions energy: -1726.165
where: short stacking energy: -779.494
Base-Backbone interact. energy: 0.488
local terms energy: -879.128666
where:
bonds (distance) C4'-P energy: -166.300
bonds (distance) P-C4' energy: -164.939
flat angles C4'-P-C4' energy: -189.015
flat angles P-C4'-P energy: -131.995
tors. eta vs tors. theta energy: -226.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2371.683844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.683844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.683844 (E_RNA)
where:
Base-Base interactions energy: -1590.641
where: short stacking energy: -701.220
Base-Backbone interact. energy: -2.720
local terms energy: -778.323794
where:
bonds (distance) C4'-P energy: -140.945
bonds (distance) P-C4' energy: -161.155
flat angles C4'-P-C4' energy: -173.115
flat angles P-C4'-P energy: -118.875
tors. eta vs tors. theta energy: -184.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2300.335780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.335780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.335780 (E_RNA)
where:
Base-Base interactions energy: -1512.537
where: short stacking energy: -651.385
Base-Backbone interact. energy: 1.438
local terms energy: -789.236825
where:
bonds (distance) C4'-P energy: -148.670
bonds (distance) P-C4' energy: -169.316
flat angles C4'-P-C4' energy: -191.925
flat angles P-C4'-P energy: -105.743
tors. eta vs tors. theta energy: -173.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1992.160832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.160832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.160832 (E_RNA)
where:
Base-Base interactions energy: -1323.151
where: short stacking energy: -564.603
Base-Backbone interact. energy: 2.945
local terms energy: -671.954740
where:
bonds (distance) C4'-P energy: -124.495
bonds (distance) P-C4' energy: -152.519
flat angles C4'-P-C4' energy: -155.486
flat angles P-C4'-P energy: -102.100
tors. eta vs tors. theta energy: -137.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1277.030451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.030451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.030451 (E_RNA)
where:
Base-Base interactions energy: -724.320
where: short stacking energy: -379.909
Base-Backbone interact. energy: 3.793
local terms energy: -556.503407
where:
bonds (distance) C4'-P energy: -157.439
bonds (distance) P-C4' energy: -147.154
flat angles C4'-P-C4' energy: -138.154
flat angles P-C4'-P energy: -92.209
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1078.004110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.004110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.004110 (E_RNA)
where:
Base-Base interactions energy: -558.237
where: short stacking energy: -287.639
Base-Backbone interact. energy: 2.026
local terms energy: -521.792617
where:
bonds (distance) C4'-P energy: -135.873
bonds (distance) P-C4' energy: -158.295
flat angles C4'-P-C4' energy: -123.836
flat angles P-C4'-P energy: -88.907
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -829.964647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.964647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.964647 (E_RNA)
where:
Base-Base interactions energy: -390.563
where: short stacking energy: -241.605
Base-Backbone interact. energy: 5.492
local terms energy: -444.893684
where:
bonds (distance) C4'-P energy: -144.680
bonds (distance) P-C4' energy: -138.995
flat angles C4'-P-C4' energy: -124.326
flat angles P-C4'-P energy: -49.868
tors. eta vs tors. theta energy: 12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -3127.465623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3127.465623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3127.465623 (E_RNA)
where:
Base-Base interactions energy: -2196.578
where: short stacking energy: -853.739
Base-Backbone interact. energy: -2.161
local terms energy: -928.726717
where:
bonds (distance) C4'-P energy: -170.249
bonds (distance) P-C4' energy: -178.383
flat angles C4'-P-C4' energy: -196.327
flat angles P-C4'-P energy: -126.920
tors. eta vs tors. theta energy: -256.847
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: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2987.001072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.001072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.001072 (E_RNA)
where:
Base-Base interactions energy: -2041.730
where: short stacking energy: -884.227
Base-Backbone interact. energy: 1.259
local terms energy: -946.530448
where:
bonds (distance) C4'-P energy: -155.864
bonds (distance) P-C4' energy: -183.730
flat angles C4'-P-C4' energy: -194.388
flat angles P-C4'-P energy: -134.079
tors. eta vs tors. theta energy: -278.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2762.962866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.962866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.962866 (E_RNA)
where:
Base-Base interactions energy: -1902.685
where: short stacking energy: -803.654
Base-Backbone interact. energy: -5.780
local terms energy: -854.497921
where:
bonds (distance) C4'-P energy: -151.417
bonds (distance) P-C4' energy: -175.245
flat angles C4'-P-C4' energy: -185.121
flat angles P-C4'-P energy: -111.235
tors. eta vs tors. theta energy: -231.481
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: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2587.403265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.403265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.403265 (E_RNA)
where:
Base-Base interactions energy: -1732.672
where: short stacking energy: -765.999
Base-Backbone interact. energy: -1.410
local terms energy: -853.321234
where:
bonds (distance) C4'-P energy: -162.264
bonds (distance) P-C4' energy: -162.086
flat angles C4'-P-C4' energy: -198.177
flat angles P-C4'-P energy: -116.120
tors. eta vs tors. theta energy: -214.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2343.743125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.743125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.743125 (E_RNA)
where:
Base-Base interactions energy: -1556.165
where: short stacking energy: -688.858
Base-Backbone interact. energy: -3.060
local terms energy: -784.517455
where:
bonds (distance) C4'-P energy: -145.232
bonds (distance) P-C4' energy: -162.377
flat angles C4'-P-C4' energy: -187.133
flat angles P-C4'-P energy: -112.544
tors. eta vs tors. theta energy: -177.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2282.954205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.954205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.954205 (E_RNA)
where:
Base-Base interactions energy: -1506.860
where: short stacking energy: -654.073
Base-Backbone interact. energy: -1.484
local terms energy: -774.610454
where:
bonds (distance) C4'-P energy: -143.078
bonds (distance) P-C4' energy: -171.269
flat angles C4'-P-C4' energy: -183.046
flat angles P-C4'-P energy: -110.629
tors. eta vs tors. theta energy: -166.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2038.005726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.005726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.005726 (E_RNA)
where:
Base-Base interactions energy: -1327.897
where: short stacking energy: -574.800
Base-Backbone interact. energy: -0.340
local terms energy: -709.769279
where:
bonds (distance) C4'-P energy: -137.687
bonds (distance) P-C4' energy: -173.289
flat angles C4'-P-C4' energy: -159.107
flat angles P-C4'-P energy: -101.776
tors. eta vs tors. theta energy: -137.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1332.628336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.628336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.628336 (E_RNA)
where:
Base-Base interactions energy: -789.558
where: short stacking energy: -376.952
Base-Backbone interact. energy: 5.360
local terms energy: -548.430261
where:
bonds (distance) C4'-P energy: -143.988
bonds (distance) P-C4' energy: -166.254
flat angles C4'-P-C4' energy: -142.084
flat angles P-C4'-P energy: -61.538
tors. eta vs tors. theta energy: -34.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1129.155196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.155196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.155196 (E_RNA)
where:
Base-Base interactions energy: -598.209
where: short stacking energy: -336.390
Base-Backbone interact. energy: 0.670
local terms energy: -531.616052
where:
bonds (distance) C4'-P energy: -128.595
bonds (distance) P-C4' energy: -145.456
flat angles C4'-P-C4' energy: -128.430
flat angles P-C4'-P energy: -92.034
tors. eta vs tors. theta energy: -37.101
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: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -833.606456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.606456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.606456 (E_RNA)
where:
Base-Base interactions energy: -375.002
where: short stacking energy: -209.938
Base-Backbone interact. energy: 8.646
local terms energy: -467.251125
where:
bonds (distance) C4'-P energy: -141.999
bonds (distance) P-C4' energy: -143.842
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -82.716
tors. eta vs tors. theta energy: 32.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -3129.384565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3129.384565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3129.384565 (E_RNA)
where:
Base-Base interactions energy: -2168.595
where: short stacking energy: -885.899
Base-Backbone interact. energy: -2.816
local terms energy: -957.974308
where:
bonds (distance) C4'-P energy: -176.293
bonds (distance) P-C4' energy: -176.330
flat angles C4'-P-C4' energy: -195.524
flat angles P-C4'-P energy: -145.068
tors. eta vs tors. theta energy: -264.759
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: 379
Temperature: 0.950000
Total energy: -2938.307448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.307448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.307448 (E_RNA)
where:
Base-Base interactions energy: -1989.983
where: short stacking energy: -861.314
Base-Backbone interact. energy: -5.956
local terms energy: -942.369129
where:
bonds (distance) C4'-P energy: -170.218
bonds (distance) P-C4' energy: -182.946
flat angles C4'-P-C4' energy: -190.543
flat angles P-C4'-P energy: -136.684
tors. eta vs tors. theta energy: -261.978
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: 379
Temperature: 1.000000
Total energy: -2748.867576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.867576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.867576 (E_RNA)
where:
Base-Base interactions energy: -1877.662
where: short stacking energy: -765.613
Base-Backbone interact. energy: -4.018
local terms energy: -867.187600
where:
bonds (distance) C4'-P energy: -160.835
bonds (distance) P-C4' energy: -178.018
flat angles C4'-P-C4' energy: -197.188
flat angles P-C4'-P energy: -114.298
tors. eta vs tors. theta energy: -216.849
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: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2631.348720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.348720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.348720 (E_RNA)
where:
Base-Base interactions energy: -1777.058
where: short stacking energy: -774.736
Base-Backbone interact. energy: -0.845
local terms energy: -853.445662
where:
bonds (distance) C4'-P energy: -158.070
bonds (distance) P-C4' energy: -170.624
flat angles C4'-P-C4' energy: -184.447
flat angles P-C4'-P energy: -124.050
tors. eta vs tors. theta energy: -216.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2417.941873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.941873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.941873 (E_RNA)
where:
Base-Base interactions energy: -1654.041
where: short stacking energy: -700.770
Base-Backbone interact. energy: 0.642
local terms energy: -764.542991
where:
bonds (distance) C4'-P energy: -134.776
bonds (distance) P-C4' energy: -142.485
flat angles C4'-P-C4' energy: -174.449
flat angles P-C4'-P energy: -120.181
tors. eta vs tors. theta energy: -192.652
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: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2271.085126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.085126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.085126 (E_RNA)
where:
Base-Base interactions energy: -1534.858
where: short stacking energy: -645.261
Base-Backbone interact. energy: -1.626
local terms energy: -734.600729
where:
bonds (distance) C4'-P energy: -145.410
bonds (distance) P-C4' energy: -169.752
flat angles C4'-P-C4' energy: -164.667
flat angles P-C4'-P energy: -93.477
tors. eta vs tors. theta energy: -161.295
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: 379
Temperature: 1.200000
Total energy: -2075.602432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.602432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.602432 (E_RNA)
where:
Base-Base interactions energy: -1365.087
where: short stacking energy: -597.955
Base-Backbone interact. energy: 2.780
local terms energy: -713.295112
where:
bonds (distance) C4'-P energy: -141.405
bonds (distance) P-C4' energy: -160.987
flat angles C4'-P-C4' energy: -173.911
flat angles P-C4'-P energy: -71.985
tors. eta vs tors. theta energy: -165.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1303.864739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.864739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.864739 (E_RNA)
where:
Base-Base interactions energy: -727.926
where: short stacking energy: -372.095
Base-Backbone interact. energy: 4.412
local terms energy: -580.350872
where:
bonds (distance) C4'-P energy: -171.650
bonds (distance) P-C4' energy: -144.260
flat angles C4'-P-C4' energy: -142.875
flat angles P-C4'-P energy: -88.399
tors. eta vs tors. theta energy: -33.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1064.895934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.895934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.895934 (E_RNA)
where:
Base-Base interactions energy: -553.113
where: short stacking energy: -312.945
Base-Backbone interact. energy: -4.484
local terms energy: -507.299562
where:
bonds (distance) C4'-P energy: -143.295
bonds (distance) P-C4' energy: -157.804
flat angles C4'-P-C4' energy: -125.276
flat angles P-C4'-P energy: -76.429
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -811.453123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.453123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.453123 (E_RNA)
where:
Base-Base interactions energy: -348.354
where: short stacking energy: -217.919
Base-Backbone interact. energy: 14.969
local terms energy: -478.068489
where:
bonds (distance) C4'-P energy: -139.880
bonds (distance) P-C4' energy: -151.393
flat angles C4'-P-C4' energy: -132.485
flat angles P-C4'-P energy: -74.324
tors. eta vs tors. theta energy: 20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -3120.393287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3120.393287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3120.393287 (E_RNA)
where:
Base-Base interactions energy: -2166.826
where: short stacking energy: -875.875
Base-Backbone interact. energy: 0.660
local terms energy: -954.226816
where:
bonds (distance) C4'-P energy: -171.251
bonds (distance) P-C4' energy: -182.273
flat angles C4'-P-C4' energy: -203.996
flat angles P-C4'-P energy: -140.136
tors. eta vs tors. theta energy: -256.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2977.041147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.041147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.041147 (E_RNA)
where:
Base-Base interactions energy: -2023.286
where: short stacking energy: -876.893
Base-Backbone interact. energy: -3.521
local terms energy: -950.234145
where:
bonds (distance) C4'-P energy: -162.516
bonds (distance) P-C4' energy: -163.793
flat angles C4'-P-C4' energy: -211.563
flat angles P-C4'-P energy: -146.035
tors. eta vs tors. theta energy: -266.326
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: 380
Temperature: 1.000000
Total energy: -2810.965270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.965270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.965270 (E_RNA)
where:
Base-Base interactions energy: -1920.851
where: short stacking energy: -801.260
Base-Backbone interact. energy: -1.814
local terms energy: -888.300456
where:
bonds (distance) C4'-P energy: -160.456
bonds (distance) P-C4' energy: -159.699
flat angles C4'-P-C4' energy: -201.196
flat angles P-C4'-P energy: -128.909
tors. eta vs tors. theta energy: -238.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2660.712012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.712012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.712012 (E_RNA)
where:
Base-Base interactions energy: -1787.963
where: short stacking energy: -768.899
Base-Backbone interact. energy: 0.903
local terms energy: -873.652047
where:
bonds (distance) C4'-P energy: -150.098
bonds (distance) P-C4' energy: -178.639
flat angles C4'-P-C4' energy: -192.318
flat angles P-C4'-P energy: -110.110
tors. eta vs tors. theta energy: -242.488
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2487.141623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.141623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.141623 (E_RNA)
where:
Base-Base interactions energy: -1674.068
where: short stacking energy: -739.408
Base-Backbone interact. energy: -1.836
local terms energy: -811.237281
where:
bonds (distance) C4'-P energy: -179.432
bonds (distance) P-C4' energy: -153.029
flat angles C4'-P-C4' energy: -169.865
flat angles P-C4'-P energy: -102.071
tors. eta vs tors. theta energy: -206.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2352.371359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.371359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.371359 (E_RNA)
where:
Base-Base interactions energy: -1587.381
where: short stacking energy: -685.013
Base-Backbone interact. energy: -2.967
local terms energy: -762.023130
where:
bonds (distance) C4'-P energy: -139.091
bonds (distance) P-C4' energy: -162.124
flat angles C4'-P-C4' energy: -177.757
flat angles P-C4'-P energy: -110.464
tors. eta vs tors. theta energy: -172.588
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: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2074.912440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.912440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.912440 (E_RNA)
where:
Base-Base interactions energy: -1372.098
where: short stacking energy: -609.639
Base-Backbone interact. energy: -0.146
local terms energy: -702.668458
where:
bonds (distance) C4'-P energy: -139.290
bonds (distance) P-C4' energy: -125.541
flat angles C4'-P-C4' energy: -183.565
flat angles P-C4'-P energy: -110.459
tors. eta vs tors. theta energy: -143.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1336.810599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.810599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.810599 (E_RNA)
where:
Base-Base interactions energy: -736.401
where: short stacking energy: -365.183
Base-Backbone interact. energy: -3.214
local terms energy: -597.195810
where:
bonds (distance) C4'-P energy: -155.496
bonds (distance) P-C4' energy: -168.472
flat angles C4'-P-C4' energy: -142.849
flat angles P-C4'-P energy: -107.931
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1119.992030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.992030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.992030 (E_RNA)
where:
Base-Base interactions energy: -630.978
where: short stacking energy: -323.057
Base-Backbone interact. energy: 0.850
local terms energy: -489.863291
where:
bonds (distance) C4'-P energy: -124.465
bonds (distance) P-C4' energy: -157.716
flat angles C4'-P-C4' energy: -132.187
flat angles P-C4'-P energy: -68.513
tors. eta vs tors. theta energy: -6.983
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: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -819.109627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.109627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.109627 (E_RNA)
where:
Base-Base interactions energy: -363.940
where: short stacking energy: -241.448
Base-Backbone interact. energy: -2.582
local terms energy: -452.587827
where:
bonds (distance) C4'-P energy: -147.505
bonds (distance) P-C4' energy: -135.041
flat angles C4'-P-C4' energy: -119.204
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: 5.858
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: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -3116.418692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3116.418692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3116.418692 (E_RNA)
where:
Base-Base interactions energy: -2172.619
where: short stacking energy: -855.864
Base-Backbone interact. energy: 2.064
local terms energy: -945.863682
where:
bonds (distance) C4'-P energy: -175.225
bonds (distance) P-C4' energy: -161.187
flat angles C4'-P-C4' energy: -209.534
flat angles P-C4'-P energy: -141.021
tors. eta vs tors. theta energy: -258.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2989.475122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.475122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.475122 (E_RNA)
where:
Base-Base interactions energy: -2029.845
where: short stacking energy: -872.197
Base-Backbone interact. energy: -1.619
local terms energy: -958.011166
where:
bonds (distance) C4'-P energy: -171.254
bonds (distance) P-C4' energy: -160.973
flat angles C4'-P-C4' energy: -211.899
flat angles P-C4'-P energy: -141.943
tors. eta vs tors. theta energy: -271.943
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2795.214543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.214543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.214543 (E_RNA)
where:
Base-Base interactions energy: -1949.116
where: short stacking energy: -820.417
Base-Backbone interact. energy: -3.364
local terms energy: -842.734560
where:
bonds (distance) C4'-P energy: -154.227
bonds (distance) P-C4' energy: -154.130
flat angles C4'-P-C4' energy: -192.547
flat angles P-C4'-P energy: -109.129
tors. eta vs tors. theta energy: -232.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2648.876345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.876345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.876345 (E_RNA)
where:
Base-Base interactions energy: -1775.119
where: short stacking energy: -772.724
Base-Backbone interact. energy: -2.339
local terms energy: -871.418361
where:
bonds (distance) C4'-P energy: -159.867
bonds (distance) P-C4' energy: -148.577
flat angles C4'-P-C4' energy: -202.015
flat angles P-C4'-P energy: -132.962
tors. eta vs tors. theta energy: -227.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2376.320445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.320445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.320445 (E_RNA)
where:
Base-Base interactions energy: -1580.959
where: short stacking energy: -698.375
Base-Backbone interact. energy: -0.581
local terms energy: -794.780985
where:
bonds (distance) C4'-P energy: -150.464
bonds (distance) P-C4' energy: -159.284
flat angles C4'-P-C4' energy: -185.871
flat angles P-C4'-P energy: -114.416
tors. eta vs tors. theta energy: -184.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2278.428300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.428300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.428300 (E_RNA)
where:
Base-Base interactions energy: -1558.529
where: short stacking energy: -673.765
Base-Backbone interact. energy: -2.285
local terms energy: -717.614678
where:
bonds (distance) C4'-P energy: -137.069
bonds (distance) P-C4' energy: -140.794
flat angles C4'-P-C4' energy: -162.478
flat angles P-C4'-P energy: -109.635
tors. eta vs tors. theta energy: -167.639
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: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2012.077037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.077037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.077037 (E_RNA)
where:
Base-Base interactions energy: -1326.670
where: short stacking energy: -590.697
Base-Backbone interact. energy: 0.076
local terms energy: -685.483637
where:
bonds (distance) C4'-P energy: -129.145
bonds (distance) P-C4' energy: -148.674
flat angles C4'-P-C4' energy: -186.389
flat angles P-C4'-P energy: -81.782
tors. eta vs tors. theta energy: -139.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1293.087806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.087806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.087806 (E_RNA)
where:
Base-Base interactions energy: -735.178
where: short stacking energy: -390.135
Base-Backbone interact. energy: 4.422
local terms energy: -562.331602
where:
bonds (distance) C4'-P energy: -134.829
bonds (distance) P-C4' energy: -163.377
flat angles C4'-P-C4' energy: -144.140
flat angles P-C4'-P energy: -78.911
tors. eta vs tors. theta energy: -41.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1092.145185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.145185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.145185 (E_RNA)
where:
Base-Base interactions energy: -577.471
where: short stacking energy: -316.497
Base-Backbone interact. energy: -1.363
local terms energy: -513.310960
where:
bonds (distance) C4'-P energy: -151.129
bonds (distance) P-C4' energy: -143.497
flat angles C4'-P-C4' energy: -125.553
flat angles P-C4'-P energy: -80.553
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: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -870.978256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.978256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.978256 (E_RNA)
where:
Base-Base interactions energy: -401.547
where: short stacking energy: -240.641
Base-Backbone interact. energy: 0.158
local terms energy: -469.589228
where:
bonds (distance) C4'-P energy: -134.929
bonds (distance) P-C4' energy: -156.378
flat angles C4'-P-C4' energy: -119.913
flat angles P-C4'-P energy: -64.383
tors. eta vs tors. theta energy: 6.013
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: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -3139.408636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3139.408636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3139.408636 (E_RNA)
where:
Base-Base interactions energy: -2204.823
where: short stacking energy: -866.907
Base-Backbone interact. energy: -1.599
local terms energy: -932.986750
where:
bonds (distance) C4'-P energy: -167.495
bonds (distance) P-C4' energy: -182.357
flat angles C4'-P-C4' energy: -190.595
flat angles P-C4'-P energy: -142.846
tors. eta vs tors. theta energy: -249.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -3009.458243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.458243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.458243 (E_RNA)
where:
Base-Base interactions energy: -2041.371
where: short stacking energy: -906.079
Base-Backbone interact. energy: 1.774
local terms energy: -969.861163
where:
bonds (distance) C4'-P energy: -172.242
bonds (distance) P-C4' energy: -184.577
flat angles C4'-P-C4' energy: -200.234
flat angles P-C4'-P energy: -139.262
tors. eta vs tors. theta energy: -273.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2834.132703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.132703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.132703 (E_RNA)
where:
Base-Base interactions energy: -1958.382
where: short stacking energy: -820.714
Base-Backbone interact. energy: -4.354
local terms energy: -871.396723
where:
bonds (distance) C4'-P energy: -159.880
bonds (distance) P-C4' energy: -155.137
flat angles C4'-P-C4' energy: -184.963
flat angles P-C4'-P energy: -118.573
tors. eta vs tors. theta energy: -252.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2591.189179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.189179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.189179 (E_RNA)
where:
Base-Base interactions energy: -1728.882
where: short stacking energy: -774.697
Base-Backbone interact. energy: -3.969
local terms energy: -858.338557
where:
bonds (distance) C4'-P energy: -155.285
bonds (distance) P-C4' energy: -173.542
flat angles C4'-P-C4' energy: -186.214
flat angles P-C4'-P energy: -114.570
tors. eta vs tors. theta energy: -228.727
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: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2432.151151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.151151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.151151 (E_RNA)
where:
Base-Base interactions energy: -1650.213
where: short stacking energy: -734.344
Base-Backbone interact. energy: -4.356
local terms energy: -777.582083
where:
bonds (distance) C4'-P energy: -147.026
bonds (distance) P-C4' energy: -143.085
flat angles C4'-P-C4' energy: -177.265
flat angles P-C4'-P energy: -106.344
tors. eta vs tors. theta energy: -203.862
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2299.448505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.448505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.448505 (E_RNA)
where:
Base-Base interactions energy: -1484.916
where: short stacking energy: -635.626
Base-Backbone interact. energy: -3.154
local terms energy: -811.378545
where:
bonds (distance) C4'-P energy: -162.339
bonds (distance) P-C4' energy: -167.156
flat angles C4'-P-C4' energy: -189.563
flat angles P-C4'-P energy: -114.459
tors. eta vs tors. theta energy: -177.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1976.948645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.948645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.948645 (E_RNA)
where:
Base-Base interactions energy: -1311.948
where: short stacking energy: -579.754
Base-Backbone interact. energy: -1.145
local terms energy: -663.855985
where:
bonds (distance) C4'-P energy: -140.568
bonds (distance) P-C4' energy: -139.844
flat angles C4'-P-C4' energy: -149.498
flat angles P-C4'-P energy: -97.032
tors. eta vs tors. theta energy: -136.915
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: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1294.859720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.859720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.859720 (E_RNA)
where:
Base-Base interactions energy: -734.792
where: short stacking energy: -382.442
Base-Backbone interact. energy: 3.805
local terms energy: -563.873352
where:
bonds (distance) C4'-P energy: -136.623
bonds (distance) P-C4' energy: -159.798
flat angles C4'-P-C4' energy: -156.601
flat angles P-C4'-P energy: -78.512
tors. eta vs tors. theta energy: -32.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1145.645930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.645930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.645930 (E_RNA)
where:
Base-Base interactions energy: -615.956
where: short stacking energy: -332.817
Base-Backbone interact. energy: 3.729
local terms energy: -533.418869
where:
bonds (distance) C4'-P energy: -156.563
bonds (distance) P-C4' energy: -155.242
flat angles C4'-P-C4' energy: -117.956
flat angles P-C4'-P energy: -70.338
tors. eta vs tors. theta energy: -33.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -843.219082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.219082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.219082 (E_RNA)
where:
Base-Base interactions energy: -391.802
where: short stacking energy: -218.534
Base-Backbone interact. energy: 2.703
local terms energy: -454.120292
where:
bonds (distance) C4'-P energy: -135.865
bonds (distance) P-C4' energy: -141.895
flat angles C4'-P-C4' energy: -145.638
flat angles P-C4'-P energy: -69.969
tors. eta vs tors. theta energy: 39.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -3137.983378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3137.983378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3137.983378 (E_RNA)
where:
Base-Base interactions energy: -2203.254
where: short stacking energy: -864.240
Base-Backbone interact. energy: -5.401
local terms energy: -929.327923
where:
bonds (distance) C4'-P energy: -175.539
bonds (distance) P-C4' energy: -161.816
flat angles C4'-P-C4' energy: -206.199
flat angles P-C4'-P energy: -137.686
tors. eta vs tors. theta energy: -248.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2964.872954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.872954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.872954 (E_RNA)
where:
Base-Base interactions energy: -2009.240
where: short stacking energy: -863.220
Base-Backbone interact. energy: -4.879
local terms energy: -950.754554
where:
bonds (distance) C4'-P energy: -181.474
bonds (distance) P-C4' energy: -169.531
flat angles C4'-P-C4' energy: -210.082
flat angles P-C4'-P energy: -122.163
tors. eta vs tors. theta energy: -267.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2855.509269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.509269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.509269 (E_RNA)
where:
Base-Base interactions energy: -1961.064
where: short stacking energy: -830.182
Base-Backbone interact. energy: -3.831
local terms energy: -890.614038
where:
bonds (distance) C4'-P energy: -152.580
bonds (distance) P-C4' energy: -168.334
flat angles C4'-P-C4' energy: -196.659
flat angles P-C4'-P energy: -122.974
tors. eta vs tors. theta energy: -250.068
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2577.214092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.214092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.214092 (E_RNA)
where:
Base-Base interactions energy: -1732.281
where: short stacking energy: -775.958
Base-Backbone interact. energy: -1.215
local terms energy: -843.717641
where:
bonds (distance) C4'-P energy: -132.764
bonds (distance) P-C4' energy: -178.311
flat angles C4'-P-C4' energy: -190.509
flat angles P-C4'-P energy: -116.940
tors. eta vs tors. theta energy: -225.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2380.519750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.519750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.519750 (E_RNA)
where:
Base-Base interactions energy: -1570.919
where: short stacking energy: -668.289
Base-Backbone interact. energy: 5.126
local terms energy: -814.726304
where:
bonds (distance) C4'-P energy: -139.357
bonds (distance) P-C4' energy: -189.515
flat angles C4'-P-C4' energy: -190.220
flat angles P-C4'-P energy: -108.672
tors. eta vs tors. theta energy: -186.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2246.707077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.707077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.707077 (E_RNA)
where:
Base-Base interactions energy: -1517.180
where: short stacking energy: -677.739
Base-Backbone interact. energy: -1.220
local terms energy: -728.307756
where:
bonds (distance) C4'-P energy: -141.219
bonds (distance) P-C4' energy: -146.342
flat angles C4'-P-C4' energy: -158.665
flat angles P-C4'-P energy: -116.449
tors. eta vs tors. theta energy: -165.634
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: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2021.391453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.391453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.391453 (E_RNA)
where:
Base-Base interactions energy: -1302.588
where: short stacking energy: -546.084
Base-Backbone interact. energy: 5.372
local terms energy: -724.175551
where:
bonds (distance) C4'-P energy: -142.997
bonds (distance) P-C4' energy: -161.037
flat angles C4'-P-C4' energy: -159.419
flat angles P-C4'-P energy: -123.862
tors. eta vs tors. theta energy: -136.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1345.120325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.120325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.120325 (E_RNA)
where:
Base-Base interactions energy: -779.758
where: short stacking energy: -400.034
Base-Backbone interact. energy: 6.177
local terms energy: -571.538890
where:
bonds (distance) C4'-P energy: -138.795
bonds (distance) P-C4' energy: -143.104
flat angles C4'-P-C4' energy: -148.761
flat angles P-C4'-P energy: -101.461
tors. eta vs tors. theta energy: -39.418
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: 383
Temperature: 1.300000
Total energy: -1128.245713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.245713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.245713 (E_RNA)
where:
Base-Base interactions energy: -620.572
where: short stacking energy: -309.915
Base-Backbone interact. energy: 1.179
local terms energy: -508.852144
where:
bonds (distance) C4'-P energy: -137.022
bonds (distance) P-C4' energy: -168.634
flat angles C4'-P-C4' energy: -126.351
flat angles P-C4'-P energy: -69.615
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -830.583675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.583675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.583675 (E_RNA)
where:
Base-Base interactions energy: -341.837
where: short stacking energy: -209.611
Base-Backbone interact. energy: -1.155
local terms energy: -487.592235
where:
bonds (distance) C4'-P energy: -141.022
bonds (distance) P-C4' energy: -160.795
flat angles C4'-P-C4' energy: -140.914
flat angles P-C4'-P energy: -64.034
tors. eta vs tors. theta energy: 19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -3131.249042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3131.249042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3131.249042 (E_RNA)
where:
Base-Base interactions energy: -2233.519
where: short stacking energy: -863.424
Base-Backbone interact. energy: -7.268
local terms energy: -890.462379
where:
bonds (distance) C4'-P energy: -155.586
bonds (distance) P-C4' energy: -168.574
flat angles C4'-P-C4' energy: -191.506
flat angles P-C4'-P energy: -124.589
tors. eta vs tors. theta energy: -250.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2987.723999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.723999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.723999 (E_RNA)
where:
Base-Base interactions energy: -2006.059
where: short stacking energy: -852.819
Base-Backbone interact. energy: -4.110
local terms energy: -977.554643
where:
bonds (distance) C4'-P energy: -172.337
bonds (distance) P-C4' energy: -185.546
flat angles C4'-P-C4' energy: -200.382
flat angles P-C4'-P energy: -151.922
tors. eta vs tors. theta energy: -267.369
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: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2830.317245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.317245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.317245 (E_RNA)
where:
Base-Base interactions energy: -1919.642
where: short stacking energy: -804.088
Base-Backbone interact. energy: -3.381
local terms energy: -907.293989
where:
bonds (distance) C4'-P energy: -164.903
bonds (distance) P-C4' energy: -172.821
flat angles C4'-P-C4' energy: -193.001
flat angles P-C4'-P energy: -130.453
tors. eta vs tors. theta energy: -246.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2607.398126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.398126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.398126 (E_RNA)
where:
Base-Base interactions energy: -1747.463
where: short stacking energy: -759.501
Base-Backbone interact. energy: -1.822
local terms energy: -858.113256
where:
bonds (distance) C4'-P energy: -160.251
bonds (distance) P-C4' energy: -181.736
flat angles C4'-P-C4' energy: -195.635
flat angles P-C4'-P energy: -109.256
tors. eta vs tors. theta energy: -211.236
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: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2370.926624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.926624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.926624 (E_RNA)
where:
Base-Base interactions energy: -1595.492
where: short stacking energy: -662.702
Base-Backbone interact. energy: -6.807
local terms energy: -768.628189
where:
bonds (distance) C4'-P energy: -153.612
bonds (distance) P-C4' energy: -169.444
flat angles C4'-P-C4' energy: -169.202
flat angles P-C4'-P energy: -111.735
tors. eta vs tors. theta energy: -164.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2157.181624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.181624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.181624 (E_RNA)
where:
Base-Base interactions energy: -1439.580
where: short stacking energy: -627.124
Base-Backbone interact. energy: 0.118
local terms energy: -717.718911
where:
bonds (distance) C4'-P energy: -145.755
bonds (distance) P-C4' energy: -157.985
flat angles C4'-P-C4' energy: -145.616
flat angles P-C4'-P energy: -107.740
tors. eta vs tors. theta energy: -160.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2045.900647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.900647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.900647 (E_RNA)
where:
Base-Base interactions energy: -1348.122
where: short stacking energy: -593.447
Base-Backbone interact. energy: -3.715
local terms energy: -694.063436
where:
bonds (distance) C4'-P energy: -131.420
bonds (distance) P-C4' energy: -153.925
flat angles C4'-P-C4' energy: -156.981
flat angles P-C4'-P energy: -121.189
tors. eta vs tors. theta energy: -130.549
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1361.914127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.914127 (E_RNA)
where:
Base-Base interactions energy: -785.983
where: short stacking energy: -357.119
Base-Backbone interact. energy: -1.380
local terms energy: -574.550824
where:
bonds (distance) C4'-P energy: -158.190
bonds (distance) P-C4' energy: -146.813
flat angles C4'-P-C4' energy: -144.971
flat angles P-C4'-P energy: -90.544
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -984.285553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.285553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.285553 (E_RNA)
where:
Base-Base interactions energy: -487.641
where: short stacking energy: -301.384
Base-Backbone interact. energy: -1.848
local terms energy: -494.795855
where:
bonds (distance) C4'-P energy: -146.858
bonds (distance) P-C4' energy: -155.468
flat angles C4'-P-C4' energy: -112.518
flat angles P-C4'-P energy: -72.312
tors. eta vs tors. theta energy: -7.640
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: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -792.625428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.625428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.625428 (E_RNA)
where:
Base-Base interactions energy: -338.527
where: short stacking energy: -204.938
Base-Backbone interact. energy: -0.269
local terms energy: -453.828793
where:
bonds (distance) C4'-P energy: -134.989
bonds (distance) P-C4' energy: -151.535
flat angles C4'-P-C4' energy: -131.570
flat angles P-C4'-P energy: -64.218
tors. eta vs tors. theta energy: 28.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -3143.937637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3143.937637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3143.937637 (E_RNA)
where:
Base-Base interactions energy: -2206.470
where: short stacking energy: -856.699
Base-Backbone interact. energy: -1.737
local terms energy: -935.730250
where:
bonds (distance) C4'-P energy: -178.208
bonds (distance) P-C4' energy: -165.269
flat angles C4'-P-C4' energy: -198.692
flat angles P-C4'-P energy: -140.226
tors. eta vs tors. theta energy: -253.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -3016.791953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.791953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.791953 (E_RNA)
where:
Base-Base interactions energy: -2053.612
where: short stacking energy: -878.424
Base-Backbone interact. energy: -1.953
local terms energy: -961.226597
where:
bonds (distance) C4'-P energy: -173.955
bonds (distance) P-C4' energy: -179.920
flat angles C4'-P-C4' energy: -215.745
flat angles P-C4'-P energy: -128.889
tors. eta vs tors. theta energy: -262.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2823.155675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.155675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.155675 (E_RNA)
where:
Base-Base interactions energy: -1948.735
where: short stacking energy: -805.744
Base-Backbone interact. energy: -1.514
local terms energy: -872.906558
where:
bonds (distance) C4'-P energy: -169.701
bonds (distance) P-C4' energy: -171.807
flat angles C4'-P-C4' energy: -173.778
flat angles P-C4'-P energy: -127.262
tors. eta vs tors. theta energy: -230.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2607.646532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.646532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.646532 (E_RNA)
where:
Base-Base interactions energy: -1732.013
where: short stacking energy: -769.418
Base-Backbone interact. energy: -4.572
local terms energy: -871.061288
where:
bonds (distance) C4'-P energy: -157.307
bonds (distance) P-C4' energy: -165.152
flat angles C4'-P-C4' energy: -192.286
flat angles P-C4'-P energy: -128.566
tors. eta vs tors. theta energy: -227.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2433.021614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.021614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.021614 (E_RNA)
where:
Base-Base interactions energy: -1658.405
where: short stacking energy: -718.141
Base-Backbone interact. energy: 3.037
local terms energy: -777.654072
where:
bonds (distance) C4'-P energy: -151.092
bonds (distance) P-C4' energy: -170.394
flat angles C4'-P-C4' energy: -167.843
flat angles P-C4'-P energy: -107.293
tors. eta vs tors. theta energy: -181.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2104.412537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.412537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.412537 (E_RNA)
where:
Base-Base interactions energy: -1399.352
where: short stacking energy: -603.176
Base-Backbone interact. energy: -1.575
local terms energy: -703.485714
where:
bonds (distance) C4'-P energy: -161.267
bonds (distance) P-C4' energy: -158.757
flat angles C4'-P-C4' energy: -158.772
flat angles P-C4'-P energy: -83.969
tors. eta vs tors. theta energy: -140.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2203.245300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.245300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.245300 (E_RNA)
where:
Base-Base interactions energy: -1454.828
where: short stacking energy: -621.670
Base-Backbone interact. energy: -1.913
local terms energy: -746.503998
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -167.290
flat angles C4'-P-C4' energy: -178.116
flat angles P-C4'-P energy: -105.728
tors. eta vs tors. theta energy: -156.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1460.033093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.033093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.033093 (E_RNA)
where:
Base-Base interactions energy: -863.315
where: short stacking energy: -432.394
Base-Backbone interact. energy: -0.435
local terms energy: -596.283014
where:
bonds (distance) C4'-P energy: -156.140
bonds (distance) P-C4' energy: -140.131
flat angles C4'-P-C4' energy: -148.775
flat angles P-C4'-P energy: -86.317
tors. eta vs tors. theta energy: -64.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1027.332292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.332292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.332292 (E_RNA)
where:
Base-Base interactions energy: -532.101
where: short stacking energy: -305.015
Base-Backbone interact. energy: -2.426
local terms energy: -492.805534
where:
bonds (distance) C4'-P energy: -128.615
bonds (distance) P-C4' energy: -154.125
flat angles C4'-P-C4' energy: -143.061
flat angles P-C4'-P energy: -73.744
tors. eta vs tors. theta energy: 6.740
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: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -788.439262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.439262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.439262 (E_RNA)
where:
Base-Base interactions energy: -315.350
where: short stacking energy: -223.857
Base-Backbone interact. energy: 2.369
local terms energy: -475.458748
where:
bonds (distance) C4'-P energy: -127.585
bonds (distance) P-C4' energy: -142.815
flat angles C4'-P-C4' energy: -144.998
flat angles P-C4'-P energy: -72.319
tors. eta vs tors. theta energy: 12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -3165.090651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3165.090651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3165.090651 (E_RNA)
where:
Base-Base interactions energy: -2216.737
where: short stacking energy: -878.501
Base-Backbone interact. energy: -2.230
local terms energy: -946.123029
where:
bonds (distance) C4'-P energy: -170.047
bonds (distance) P-C4' energy: -183.680
flat angles C4'-P-C4' energy: -193.798
flat angles P-C4'-P energy: -143.457
tors. eta vs tors. theta energy: -255.140
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: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2963.954887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.954887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.954887 (E_RNA)
where:
Base-Base interactions energy: -1994.570
where: short stacking energy: -864.506
Base-Backbone interact. energy: -5.045
local terms energy: -964.339924
where:
bonds (distance) C4'-P energy: -162.156
bonds (distance) P-C4' energy: -191.990
flat angles C4'-P-C4' energy: -209.431
flat angles P-C4'-P energy: -139.708
tors. eta vs tors. theta energy: -261.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2823.016866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.016866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.016866 (E_RNA)
where:
Base-Base interactions energy: -1928.397
where: short stacking energy: -821.682
Base-Backbone interact. energy: -1.003
local terms energy: -893.617062
where:
bonds (distance) C4'-P energy: -168.968
bonds (distance) P-C4' energy: -172.008
flat angles C4'-P-C4' energy: -189.065
flat angles P-C4'-P energy: -121.909
tors. eta vs tors. theta energy: -241.667
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: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2638.684036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.684036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.684036 (E_RNA)
where:
Base-Base interactions energy: -1752.700
where: short stacking energy: -782.154
Base-Backbone interact. energy: -3.042
local terms energy: -882.941714
where:
bonds (distance) C4'-P energy: -159.552
bonds (distance) P-C4' energy: -160.216
flat angles C4'-P-C4' energy: -208.838
flat angles P-C4'-P energy: -117.037
tors. eta vs tors. theta energy: -237.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2397.591572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.591572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.591572 (E_RNA)
where:
Base-Base interactions energy: -1620.161
where: short stacking energy: -676.498
Base-Backbone interact. energy: -5.578
local terms energy: -771.852284
where:
bonds (distance) C4'-P energy: -151.154
bonds (distance) P-C4' energy: -173.689
flat angles C4'-P-C4' energy: -176.611
flat angles P-C4'-P energy: -103.703
tors. eta vs tors. theta energy: -166.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2077.544608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.544608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.544608 (E_RNA)
where:
Base-Base interactions energy: -1355.746
where: short stacking energy: -593.046
Base-Backbone interact. energy: 3.275
local terms energy: -725.073319
where:
bonds (distance) C4'-P energy: -164.598
bonds (distance) P-C4' energy: -157.910
flat angles C4'-P-C4' energy: -167.411
flat angles P-C4'-P energy: -105.197
tors. eta vs tors. theta energy: -129.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2165.393385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.393385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.393385 (E_RNA)
where:
Base-Base interactions energy: -1482.073
where: short stacking energy: -642.348
Base-Backbone interact. energy: -1.327
local terms energy: -681.993081
where:
bonds (distance) C4'-P energy: -139.678
bonds (distance) P-C4' energy: -127.068
flat angles C4'-P-C4' energy: -161.453
flat angles P-C4'-P energy: -84.654
tors. eta vs tors. theta energy: -169.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1491.265456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.265456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.265456 (E_RNA)
where:
Base-Base interactions energy: -918.656
where: short stacking energy: -432.818
Base-Backbone interact. energy: -0.148
local terms energy: -572.462123
where:
bonds (distance) C4'-P energy: -151.373
bonds (distance) P-C4' energy: -138.566
flat angles C4'-P-C4' energy: -141.680
flat angles P-C4'-P energy: -78.256
tors. eta vs tors. theta energy: -62.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1118.186945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.186945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.186945 (E_RNA)
where:
Base-Base interactions energy: -594.285
where: short stacking energy: -282.715
Base-Backbone interact. energy: 5.997
local terms energy: -529.899348
where:
bonds (distance) C4'-P energy: -142.013
bonds (distance) P-C4' energy: -161.384
flat angles C4'-P-C4' energy: -129.642
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -758.199432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.199432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.199432 (E_RNA)
where:
Base-Base interactions energy: -313.041
where: short stacking energy: -219.048
Base-Backbone interact. energy: -1.366
local terms energy: -443.792209
where:
bonds (distance) C4'-P energy: -123.601
bonds (distance) P-C4' energy: -144.912
flat angles C4'-P-C4' energy: -129.259
flat angles P-C4'-P energy: -71.499
tors. eta vs tors. theta energy: 25.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -3159.247671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3159.247671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3159.247671 (E_RNA)
where:
Base-Base interactions energy: -2233.199
where: short stacking energy: -865.394
Base-Backbone interact. energy: -6.760
local terms energy: -919.289080
where:
bonds (distance) C4'-P energy: -164.428
bonds (distance) P-C4' energy: -175.466
flat angles C4'-P-C4' energy: -199.139
flat angles P-C4'-P energy: -124.320
tors. eta vs tors. theta energy: -255.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -3054.078817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3054.078817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3054.078817 (E_RNA)
where:
Base-Base interactions energy: -2108.329
where: short stacking energy: -884.238
Base-Backbone interact. energy: -1.623
local terms energy: -944.127121
where:
bonds (distance) C4'-P energy: -178.667
bonds (distance) P-C4' energy: -181.375
flat angles C4'-P-C4' energy: -185.045
flat angles P-C4'-P energy: -130.087
tors. eta vs tors. theta energy: -268.953
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2864.923754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.923754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.923754 (E_RNA)
where:
Base-Base interactions energy: -1955.549
where: short stacking energy: -846.903
Base-Backbone interact. energy: -4.075
local terms energy: -905.299243
where:
bonds (distance) C4'-P energy: -147.903
bonds (distance) P-C4' energy: -170.350
flat angles C4'-P-C4' energy: -196.322
flat angles P-C4'-P energy: -147.761
tors. eta vs tors. theta energy: -242.963
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: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2594.197821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.197821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.197821 (E_RNA)
where:
Base-Base interactions energy: -1692.293
where: short stacking energy: -757.540
Base-Backbone interact. energy: -2.926
local terms energy: -898.978592
where:
bonds (distance) C4'-P energy: -169.584
bonds (distance) P-C4' energy: -184.554
flat angles C4'-P-C4' energy: -191.045
flat angles P-C4'-P energy: -135.492
tors. eta vs tors. theta energy: -218.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2466.303290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.303290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.303290 (E_RNA)
where:
Base-Base interactions energy: -1642.680
where: short stacking energy: -691.564
Base-Backbone interact. energy: -3.067
local terms energy: -820.556881
where:
bonds (distance) C4'-P energy: -160.424
bonds (distance) P-C4' energy: -177.756
flat angles C4'-P-C4' energy: -187.822
flat angles P-C4'-P energy: -107.720
tors. eta vs tors. theta energy: -186.835
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: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2354.651525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.651525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.651525 (E_RNA)
where:
Base-Base interactions energy: -1608.602
where: short stacking energy: -660.760
Base-Backbone interact. energy: -2.900
local terms energy: -743.149848
where:
bonds (distance) C4'-P energy: -138.743
bonds (distance) P-C4' energy: -159.594
flat angles C4'-P-C4' energy: -170.670
flat angles P-C4'-P energy: -93.403
tors. eta vs tors. theta energy: -180.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2077.200756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.200756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.200756 (E_RNA)
where:
Base-Base interactions energy: -1365.567
where: short stacking energy: -565.549
Base-Backbone interact. energy: -4.336
local terms energy: -707.297788
where:
bonds (distance) C4'-P energy: -138.314
bonds (distance) P-C4' energy: -163.144
flat angles C4'-P-C4' energy: -171.094
flat angles P-C4'-P energy: -117.594
tors. eta vs tors. theta energy: -117.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1446.362125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.362125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.362125 (E_RNA)
where:
Base-Base interactions energy: -855.459
where: short stacking energy: -410.970
Base-Backbone interact. energy: 1.387
local terms energy: -592.290404
where:
bonds (distance) C4'-P energy: -133.434
bonds (distance) P-C4' energy: -160.552
flat angles C4'-P-C4' energy: -146.195
flat angles P-C4'-P energy: -100.768
tors. eta vs tors. theta energy: -51.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1151.916578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.916578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.916578 (E_RNA)
where:
Base-Base interactions energy: -601.116
where: short stacking energy: -305.473
Base-Backbone interact. energy: 0.686
local terms energy: -551.486703
where:
bonds (distance) C4'-P energy: -130.958
bonds (distance) P-C4' energy: -174.662
flat angles C4'-P-C4' energy: -143.045
flat angles P-C4'-P energy: -71.244
tors. eta vs tors. theta energy: -31.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -826.896503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.896503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.896503 (E_RNA)
where:
Base-Base interactions energy: -369.182
where: short stacking energy: -240.942
Base-Backbone interact. energy: 10.303
local terms energy: -468.018148
where:
bonds (distance) C4'-P energy: -143.361
bonds (distance) P-C4' energy: -133.475
flat angles C4'-P-C4' energy: -128.091
flat angles P-C4'-P energy: -82.684
tors. eta vs tors. theta energy: 19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -3122.890431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3122.890431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3122.890431 (E_RNA)
where:
Base-Base interactions energy: -2164.681
where: short stacking energy: -867.775
Base-Backbone interact. energy: -5.342
local terms energy: -952.867357
where:
bonds (distance) C4'-P energy: -183.434
bonds (distance) P-C4' energy: -186.143
flat angles C4'-P-C4' energy: -200.862
flat angles P-C4'-P energy: -139.346
tors. eta vs tors. theta energy: -243.081
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: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -3050.003568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.003568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.003568 (E_RNA)
where:
Base-Base interactions energy: -2068.736
where: short stacking energy: -882.615
Base-Backbone interact. energy: -2.755
local terms energy: -978.512035
where:
bonds (distance) C4'-P energy: -192.053
bonds (distance) P-C4' energy: -172.305
flat angles C4'-P-C4' energy: -206.819
flat angles P-C4'-P energy: -118.239
tors. eta vs tors. theta energy: -289.097
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: 388
Temperature: 1.000000
Total energy: -2883.752897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.752897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.752897 (E_RNA)
where:
Base-Base interactions energy: -1974.521
where: short stacking energy: -865.622
Base-Backbone interact. energy: -3.356
local terms energy: -905.875829
where:
bonds (distance) C4'-P energy: -159.567
bonds (distance) P-C4' energy: -172.135
flat angles C4'-P-C4' energy: -197.533
flat angles P-C4'-P energy: -116.104
tors. eta vs tors. theta energy: -260.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2611.109769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.109769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.109769 (E_RNA)
where:
Base-Base interactions energy: -1759.871
where: short stacking energy: -787.795
Base-Backbone interact. energy: -0.760
local terms energy: -850.478580
where:
bonds (distance) C4'-P energy: -171.382
bonds (distance) P-C4' energy: -163.479
flat angles C4'-P-C4' energy: -187.901
flat angles P-C4'-P energy: -114.067
tors. eta vs tors. theta energy: -213.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2410.350358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.350358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.350358 (E_RNA)
where:
Base-Base interactions energy: -1643.166
where: short stacking energy: -654.525
Base-Backbone interact. energy: -2.342
local terms energy: -764.842426
where:
bonds (distance) C4'-P energy: -157.335
bonds (distance) P-C4' energy: -160.718
flat angles C4'-P-C4' energy: -163.548
flat angles P-C4'-P energy: -113.782
tors. eta vs tors. theta energy: -169.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2311.157389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.157389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.157389 (E_RNA)
where:
Base-Base interactions energy: -1546.831
where: short stacking energy: -681.628
Base-Backbone interact. energy: 0.549
local terms energy: -764.875064
where:
bonds (distance) C4'-P energy: -163.729
bonds (distance) P-C4' energy: -156.733
flat angles C4'-P-C4' energy: -172.996
flat angles P-C4'-P energy: -106.387
tors. eta vs tors. theta energy: -165.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2103.323236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.323236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.323236 (E_RNA)
where:
Base-Base interactions energy: -1420.194
where: short stacking energy: -625.176
Base-Backbone interact. energy: -1.316
local terms energy: -681.812967
where:
bonds (distance) C4'-P energy: -146.958
bonds (distance) P-C4' energy: -119.544
flat angles C4'-P-C4' energy: -172.923
flat angles P-C4'-P energy: -97.237
tors. eta vs tors. theta energy: -145.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1522.252275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.252275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.252275 (E_RNA)
where:
Base-Base interactions energy: -953.689
where: short stacking energy: -452.679
Base-Backbone interact. energy: 3.015
local terms energy: -571.578331
where:
bonds (distance) C4'-P energy: -144.368
bonds (distance) P-C4' energy: -155.882
flat angles C4'-P-C4' energy: -128.135
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -68.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1073.696926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.696926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.696926 (E_RNA)
where:
Base-Base interactions energy: -584.907
where: short stacking energy: -306.771
Base-Backbone interact. energy: 0.637
local terms energy: -489.427590
where:
bonds (distance) C4'-P energy: -131.986
bonds (distance) P-C4' energy: -154.047
flat angles C4'-P-C4' energy: -110.147
flat angles P-C4'-P energy: -82.703
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -787.568093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.568093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.568093 (E_RNA)
where:
Base-Base interactions energy: -326.891
where: short stacking energy: -221.100
Base-Backbone interact. energy: 3.606
local terms energy: -464.283272
where:
bonds (distance) C4'-P energy: -134.441
bonds (distance) P-C4' energy: -148.377
flat angles C4'-P-C4' energy: -122.421
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: 19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -3154.311588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3154.311588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3154.311588 (E_RNA)
where:
Base-Base interactions energy: -2178.128
where: short stacking energy: -866.806
Base-Backbone interact. energy: -7.515
local terms energy: -968.668924
where:
bonds (distance) C4'-P energy: -184.384
bonds (distance) P-C4' energy: -175.683
flat angles C4'-P-C4' energy: -203.210
flat angles P-C4'-P energy: -149.486
tors. eta vs tors. theta energy: -255.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -3064.070702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3064.070702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3064.070702 (E_RNA)
where:
Base-Base interactions energy: -2052.702
where: short stacking energy: -892.318
Base-Backbone interact. energy: -5.652
local terms energy: -1005.716638
where:
bonds (distance) C4'-P energy: -179.797
bonds (distance) P-C4' energy: -201.468
flat angles C4'-P-C4' energy: -204.480
flat angles P-C4'-P energy: -137.219
tors. eta vs tors. theta energy: -282.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2838.817966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.817966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.817966 (E_RNA)
where:
Base-Base interactions energy: -1958.876
where: short stacking energy: -825.925
Base-Backbone interact. energy: -1.945
local terms energy: -877.996910
where:
bonds (distance) C4'-P energy: -155.408
bonds (distance) P-C4' energy: -161.617
flat angles C4'-P-C4' energy: -191.231
flat angles P-C4'-P energy: -109.987
tors. eta vs tors. theta energy: -259.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2606.409920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.409920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.409920 (E_RNA)
where:
Base-Base interactions energy: -1767.169
where: short stacking energy: -794.855
Base-Backbone interact. energy: -1.061
local terms energy: -838.180089
where:
bonds (distance) C4'-P energy: -144.042
bonds (distance) P-C4' energy: -164.452
flat angles C4'-P-C4' energy: -189.678
flat angles P-C4'-P energy: -116.297
tors. eta vs tors. theta energy: -223.712
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: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2465.612127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.612127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.612127 (E_RNA)
where:
Base-Base interactions energy: -1679.773
where: short stacking energy: -716.059
Base-Backbone interact. energy: -1.413
local terms energy: -784.426454
where:
bonds (distance) C4'-P energy: -145.550
bonds (distance) P-C4' energy: -157.806
flat angles C4'-P-C4' energy: -178.383
flat angles P-C4'-P energy: -120.041
tors. eta vs tors. theta energy: -182.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2302.160356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.160356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.160356 (E_RNA)
where:
Base-Base interactions energy: -1543.729
where: short stacking energy: -642.600
Base-Backbone interact. energy: -4.365
local terms energy: -754.066698
where:
bonds (distance) C4'-P energy: -140.861
bonds (distance) P-C4' energy: -156.327
flat angles C4'-P-C4' energy: -169.981
flat angles P-C4'-P energy: -104.459
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: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2103.631314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.631314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.631314 (E_RNA)
where:
Base-Base interactions energy: -1406.183
where: short stacking energy: -629.814
Base-Backbone interact. energy: -5.474
local terms energy: -691.974452
where:
bonds (distance) C4'-P energy: -155.895
bonds (distance) P-C4' energy: -135.539
flat angles C4'-P-C4' energy: -168.189
flat angles P-C4'-P energy: -83.209
tors. eta vs tors. theta energy: -149.142
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1445.261118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.261118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.261118 (E_RNA)
where:
Base-Base interactions energy: -857.236
where: short stacking energy: -402.451
Base-Backbone interact. energy: -4.626
local terms energy: -583.398360
where:
bonds (distance) C4'-P energy: -136.389
bonds (distance) P-C4' energy: -141.421
flat angles C4'-P-C4' energy: -150.514
flat angles P-C4'-P energy: -88.390
tors. eta vs tors. theta energy: -66.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -998.260204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.260204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.260204 (E_RNA)
where:
Base-Base interactions energy: -488.190
where: short stacking energy: -272.341
Base-Backbone interact. energy: -1.084
local terms energy: -508.986444
where:
bonds (distance) C4'-P energy: -156.506
bonds (distance) P-C4' energy: -153.543
flat angles C4'-P-C4' energy: -118.288
flat angles P-C4'-P energy: -84.443
tors. eta vs tors. theta energy: 3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -844.659299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.659299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.659299 (E_RNA)
where:
Base-Base interactions energy: -365.594
where: short stacking energy: -216.837
Base-Backbone interact. energy: 3.286
local terms energy: -482.351563
where:
bonds (distance) C4'-P energy: -133.662
bonds (distance) P-C4' energy: -162.489
flat angles C4'-P-C4' energy: -137.153
flat angles P-C4'-P energy: -58.272
tors. eta vs tors. theta energy: 9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -3162.958720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3162.958720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3162.958720 (E_RNA)
where:
Base-Base interactions energy: -2208.925
where: short stacking energy: -862.046
Base-Backbone interact. energy: -5.489
local terms energy: -948.544777
where:
bonds (distance) C4'-P energy: -186.234
bonds (distance) P-C4' energy: -181.257
flat angles C4'-P-C4' energy: -201.174
flat angles P-C4'-P energy: -137.642
tors. eta vs tors. theta energy: -242.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -3048.494739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3048.494739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3048.494739 (E_RNA)
where:
Base-Base interactions energy: -2085.716
where: short stacking energy: -900.927
Base-Backbone interact. energy: -1.354
local terms energy: -961.424357
where:
bonds (distance) C4'-P energy: -168.727
bonds (distance) P-C4' energy: -171.783
flat angles C4'-P-C4' energy: -205.585
flat angles P-C4'-P energy: -133.995
tors. eta vs tors. theta energy: -281.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2844.608792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.608792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.608792 (E_RNA)
where:
Base-Base interactions energy: -1945.002
where: short stacking energy: -778.525
Base-Backbone interact. energy: -4.884
local terms energy: -894.722371
where:
bonds (distance) C4'-P energy: -167.642
bonds (distance) P-C4' energy: -187.733
flat angles C4'-P-C4' energy: -173.136
flat angles P-C4'-P energy: -132.581
tors. eta vs tors. theta energy: -233.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2571.661035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.661035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.661035 (E_RNA)
where:
Base-Base interactions energy: -1661.847
where: short stacking energy: -748.530
Base-Backbone interact. energy: -5.248
local terms energy: -904.566453
where:
bonds (distance) C4'-P energy: -173.498
bonds (distance) P-C4' energy: -180.772
flat angles C4'-P-C4' energy: -192.887
flat angles P-C4'-P energy: -131.043
tors. eta vs tors. theta energy: -226.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2387.316151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.316151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.316151 (E_RNA)
where:
Base-Base interactions energy: -1597.847
where: short stacking energy: -677.998
Base-Backbone interact. energy: -2.932
local terms energy: -786.537554
where:
bonds (distance) C4'-P energy: -155.924
bonds (distance) P-C4' energy: -160.742
flat angles C4'-P-C4' energy: -181.853
flat angles P-C4'-P energy: -113.657
tors. eta vs tors. theta energy: -174.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2331.115237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.115237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.115237 (E_RNA)
where:
Base-Base interactions energy: -1575.275
where: short stacking energy: -705.907
Base-Backbone interact. energy: -2.184
local terms energy: -753.656549
where:
bonds (distance) C4'-P energy: -128.692
bonds (distance) P-C4' energy: -145.918
flat angles C4'-P-C4' energy: -165.821
flat angles P-C4'-P energy: -128.090
tors. eta vs tors. theta energy: -185.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2153.622398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.622398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.622398 (E_RNA)
where:
Base-Base interactions energy: -1455.294
where: short stacking energy: -611.997
Base-Backbone interact. energy: -3.341
local terms energy: -694.987373
where:
bonds (distance) C4'-P energy: -143.649
bonds (distance) P-C4' energy: -143.740
flat angles C4'-P-C4' energy: -158.864
flat angles P-C4'-P energy: -104.155
tors. eta vs tors. theta energy: -144.579
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: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1518.357837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.357837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.357837 (E_RNA)
where:
Base-Base interactions energy: -922.517
where: short stacking energy: -466.602
Base-Backbone interact. energy: -1.749
local terms energy: -594.091588
where:
bonds (distance) C4'-P energy: -117.294
bonds (distance) P-C4' energy: -169.827
flat angles C4'-P-C4' energy: -145.042
flat angles P-C4'-P energy: -87.491
tors. eta vs tors. theta energy: -74.437
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: 390
Temperature: 1.300000
Total energy: -966.895191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.895191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.895191 (E_RNA)
where:
Base-Base interactions energy: -473.299
where: short stacking energy: -285.383
Base-Backbone interact. energy: -0.153
local terms energy: -493.444041
where:
bonds (distance) C4'-P energy: -136.515
bonds (distance) P-C4' energy: -164.136
flat angles C4'-P-C4' energy: -119.239
flat angles P-C4'-P energy: -69.617
tors. eta vs tors. theta energy: -3.937
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -799.222286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.222286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.222286 (E_RNA)
where:
Base-Base interactions energy: -381.993
where: short stacking energy: -256.467
Base-Backbone interact. energy: -4.557
local terms energy: -412.672890
where:
bonds (distance) C4'-P energy: -125.646
bonds (distance) P-C4' energy: -136.762
flat angles C4'-P-C4' energy: -90.900
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: 6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -3169.840911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3169.840911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3169.840911 (E_RNA)
where:
Base-Base interactions energy: -2230.969
where: short stacking energy: -896.922
Base-Backbone interact. energy: -7.038
local terms energy: -931.833709
where:
bonds (distance) C4'-P energy: -172.009
bonds (distance) P-C4' energy: -197.832
flat angles C4'-P-C4' energy: -187.615
flat angles P-C4'-P energy: -124.640
tors. eta vs tors. theta energy: -249.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -3061.809818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.809818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.809818 (E_RNA)
where:
Base-Base interactions energy: -2101.296
where: short stacking energy: -892.463
Base-Backbone interact. energy: -3.214
local terms energy: -957.300023
where:
bonds (distance) C4'-P energy: -173.921
bonds (distance) P-C4' energy: -176.235
flat angles C4'-P-C4' energy: -191.282
flat angles P-C4'-P energy: -134.395
tors. eta vs tors. theta energy: -281.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2884.374236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.374236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.374236 (E_RNA)
where:
Base-Base interactions energy: -1945.313
where: short stacking energy: -809.298
Base-Backbone interact. energy: -5.727
local terms energy: -933.334365
where:
bonds (distance) C4'-P energy: -178.866
bonds (distance) P-C4' energy: -180.737
flat angles C4'-P-C4' energy: -203.895
flat angles P-C4'-P energy: -113.808
tors. eta vs tors. theta energy: -256.028
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2658.507285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.507285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.507285 (E_RNA)
where:
Base-Base interactions energy: -1774.903
where: short stacking energy: -803.730
Base-Backbone interact. energy: -1.300
local terms energy: -882.304311
where:
bonds (distance) C4'-P energy: -163.186
bonds (distance) P-C4' energy: -162.855
flat angles C4'-P-C4' energy: -185.503
flat angles P-C4'-P energy: -124.739
tors. eta vs tors. theta energy: -246.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2483.107042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.107042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.107042 (E_RNA)
where:
Base-Base interactions energy: -1688.831
where: short stacking energy: -719.856
Base-Backbone interact. energy: -0.057
local terms energy: -794.219320
where:
bonds (distance) C4'-P energy: -136.276
bonds (distance) P-C4' energy: -164.163
flat angles C4'-P-C4' energy: -174.482
flat angles P-C4'-P energy: -125.832
tors. eta vs tors. theta energy: -193.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2311.586090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.586090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.586090 (E_RNA)
where:
Base-Base interactions energy: -1554.763
where: short stacking energy: -669.800
Base-Backbone interact. energy: -3.115
local terms energy: -753.708444
where:
bonds (distance) C4'-P energy: -138.099
bonds (distance) P-C4' energy: -157.615
flat angles C4'-P-C4' energy: -163.569
flat angles P-C4'-P energy: -119.011
tors. eta vs tors. theta energy: -175.415
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: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2191.624407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.624407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.624407 (E_RNA)
where:
Base-Base interactions energy: -1461.601
where: short stacking energy: -640.895
Base-Backbone interact. energy: -1.277
local terms energy: -728.745918
where:
bonds (distance) C4'-P energy: -154.403
bonds (distance) P-C4' energy: -147.809
flat angles C4'-P-C4' energy: -164.011
flat angles P-C4'-P energy: -112.272
tors. eta vs tors. theta energy: -150.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1530.614513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.614513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.614513 (E_RNA)
where:
Base-Base interactions energy: -944.880
where: short stacking energy: -445.617
Base-Backbone interact. energy: 2.248
local terms energy: -587.982874
where:
bonds (distance) C4'-P energy: -149.990
bonds (distance) P-C4' energy: -164.703
flat angles C4'-P-C4' energy: -123.482
flat angles P-C4'-P energy: -80.485
tors. eta vs tors. theta energy: -69.323
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: 391
Temperature: 1.300000
Total energy: -985.039371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.039371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.039371 (E_RNA)
where:
Base-Base interactions energy: -505.959
where: short stacking energy: -286.421
Base-Backbone interact. energy: -2.555
local terms energy: -476.524641
where:
bonds (distance) C4'-P energy: -132.893
bonds (distance) P-C4' energy: -167.886
flat angles C4'-P-C4' energy: -110.991
flat angles P-C4'-P energy: -66.844
tors. eta vs tors. theta energy: 2.089
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: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -807.896330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.896330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.896330 (E_RNA)
where:
Base-Base interactions energy: -326.177
where: short stacking energy: -200.871
Base-Backbone interact. energy: 0.679
local terms energy: -482.398721
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -166.125
flat angles C4'-P-C4' energy: -132.852
flat angles P-C4'-P energy: -75.788
tors. eta vs tors. theta energy: 25.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -3157.193868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3157.193868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3157.193868 (E_RNA)
where:
Base-Base interactions energy: -2213.879
where: short stacking energy: -855.509
Base-Backbone interact. energy: -0.428
local terms energy: -942.886839
where:
bonds (distance) C4'-P energy: -181.189
bonds (distance) P-C4' energy: -188.788
flat angles C4'-P-C4' energy: -185.482
flat angles P-C4'-P energy: -139.904
tors. eta vs tors. theta energy: -247.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -3046.366605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.366605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.366605 (E_RNA)
where:
Base-Base interactions energy: -2072.375
where: short stacking energy: -884.120
Base-Backbone interact. energy: -0.258
local terms energy: -973.733702
where:
bonds (distance) C4'-P energy: -157.696
bonds (distance) P-C4' energy: -188.797
flat angles C4'-P-C4' energy: -218.633
flat angles P-C4'-P energy: -129.516
tors. eta vs tors. theta energy: -279.092
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: 392
Temperature: 1.000000
Total energy: -2890.444604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.444604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.444604 (E_RNA)
where:
Base-Base interactions energy: -1996.864
where: short stacking energy: -800.769
Base-Backbone interact. energy: 5.375
local terms energy: -898.956006
where:
bonds (distance) C4'-P energy: -164.537
bonds (distance) P-C4' energy: -170.629
flat angles C4'-P-C4' energy: -188.382
flat angles P-C4'-P energy: -124.059
tors. eta vs tors. theta energy: -251.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2585.248071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.248071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.248071 (E_RNA)
where:
Base-Base interactions energy: -1704.500
where: short stacking energy: -784.718
Base-Backbone interact. energy: -3.532
local terms energy: -877.216685
where:
bonds (distance) C4'-P energy: -164.878
bonds (distance) P-C4' energy: -177.928
flat angles C4'-P-C4' energy: -182.162
flat angles P-C4'-P energy: -132.950
tors. eta vs tors. theta energy: -219.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2450.871630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.871630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.871630 (E_RNA)
where:
Base-Base interactions energy: -1627.115
where: short stacking energy: -690.337
Base-Backbone interact. energy: -3.347
local terms energy: -820.409284
where:
bonds (distance) C4'-P energy: -163.046
bonds (distance) P-C4' energy: -172.649
flat angles C4'-P-C4' energy: -193.211
flat angles P-C4'-P energy: -114.938
tors. eta vs tors. theta energy: -176.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2230.333585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.333585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.333585 (E_RNA)
where:
Base-Base interactions energy: -1491.740
where: short stacking energy: -607.902
Base-Backbone interact. energy: -2.780
local terms energy: -735.813405
where:
bonds (distance) C4'-P energy: -144.393
bonds (distance) P-C4' energy: -154.434
flat angles C4'-P-C4' energy: -172.813
flat angles P-C4'-P energy: -101.185
tors. eta vs tors. theta energy: -162.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2195.622964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.622964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.622964 (E_RNA)
where:
Base-Base interactions energy: -1467.185
where: short stacking energy: -631.310
Base-Backbone interact. energy: -5.364
local terms energy: -723.073267
where:
bonds (distance) C4'-P energy: -138.205
bonds (distance) P-C4' energy: -160.746
flat angles C4'-P-C4' energy: -173.124
flat angles P-C4'-P energy: -99.239
tors. eta vs tors. theta energy: -151.760
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: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1503.824400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.824400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.824400 (E_RNA)
where:
Base-Base interactions energy: -896.059
where: short stacking energy: -413.039
Base-Backbone interact. energy: -2.051
local terms energy: -605.715276
where:
bonds (distance) C4'-P energy: -144.066
bonds (distance) P-C4' energy: -170.138
flat angles C4'-P-C4' energy: -131.770
flat angles P-C4'-P energy: -97.675
tors. eta vs tors. theta energy: -62.066
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: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1028.242873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.242873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.242873 (E_RNA)
where:
Base-Base interactions energy: -531.698
where: short stacking energy: -284.280
Base-Backbone interact. energy: -2.643
local terms energy: -493.902165
where:
bonds (distance) C4'-P energy: -136.698
bonds (distance) P-C4' energy: -170.248
flat angles C4'-P-C4' energy: -118.494
flat angles P-C4'-P energy: -69.979
tors. eta vs tors. theta energy: 1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -755.883477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.883477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.883477 (E_RNA)
where:
Base-Base interactions energy: -306.795
where: short stacking energy: -192.839
Base-Backbone interact. energy: 3.477
local terms energy: -452.565053
where:
bonds (distance) C4'-P energy: -147.215
bonds (distance) P-C4' energy: -142.216
flat angles C4'-P-C4' energy: -126.307
flat angles P-C4'-P energy: -70.905
tors. eta vs tors. theta energy: 34.077
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: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -3147.691305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3147.691305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3147.691305 (E_RNA)
where:
Base-Base interactions energy: -2193.160
where: short stacking energy: -862.819
Base-Backbone interact. energy: 4.521
local terms energy: -959.052399
where:
bonds (distance) C4'-P energy: -171.144
bonds (distance) P-C4' energy: -190.820
flat angles C4'-P-C4' energy: -195.715
flat angles P-C4'-P energy: -145.537
tors. eta vs tors. theta energy: -255.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -3034.418026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.418026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.418026 (E_RNA)
where:
Base-Base interactions energy: -2061.118
where: short stacking energy: -867.871
Base-Backbone interact. energy: -3.410
local terms energy: -969.889481
where:
bonds (distance) C4'-P energy: -161.737
bonds (distance) P-C4' energy: -188.261
flat angles C4'-P-C4' energy: -204.036
flat angles P-C4'-P energy: -135.559
tors. eta vs tors. theta energy: -280.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2854.906575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.906575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.906575 (E_RNA)
where:
Base-Base interactions energy: -1974.699
where: short stacking energy: -843.590
Base-Backbone interact. energy: -5.131
local terms energy: -875.076417
where:
bonds (distance) C4'-P energy: -148.398
bonds (distance) P-C4' energy: -172.629
flat angles C4'-P-C4' energy: -178.146
flat angles P-C4'-P energy: -133.323
tors. eta vs tors. theta energy: -242.581
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: 393
Temperature: 1.050000
Total energy: -2659.733683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.733683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.733683 (E_RNA)
where:
Base-Base interactions energy: -1759.972
where: short stacking energy: -791.822
Base-Backbone interact. energy: -2.292
local terms energy: -897.469338
where:
bonds (distance) C4'-P energy: -175.106
bonds (distance) P-C4' energy: -180.331
flat angles C4'-P-C4' energy: -185.695
flat angles P-C4'-P energy: -116.986
tors. eta vs tors. theta energy: -239.351
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: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2499.591341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.591341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.591341 (E_RNA)
where:
Base-Base interactions energy: -1673.909
where: short stacking energy: -712.642
Base-Backbone interact. energy: -0.243
local terms energy: -825.438752
where:
bonds (distance) C4'-P energy: -154.468
bonds (distance) P-C4' energy: -176.812
flat angles C4'-P-C4' energy: -175.789
flat angles P-C4'-P energy: -113.303
tors. eta vs tors. theta energy: -205.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2282.810369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.810369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.810369 (E_RNA)
where:
Base-Base interactions energy: -1551.263
where: short stacking energy: -706.759
Base-Backbone interact. energy: -1.236
local terms energy: -730.310909
where:
bonds (distance) C4'-P energy: -143.329
bonds (distance) P-C4' energy: -145.297
flat angles C4'-P-C4' energy: -159.178
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -184.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2208.634645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.634645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.634645 (E_RNA)
where:
Base-Base interactions energy: -1510.400
where: short stacking energy: -635.611
Base-Backbone interact. energy: -2.109
local terms energy: -696.125237
where:
bonds (distance) C4'-P energy: -133.702
bonds (distance) P-C4' energy: -155.551
flat angles C4'-P-C4' energy: -158.063
flat angles P-C4'-P energy: -98.918
tors. eta vs tors. theta energy: -149.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1529.757855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.757855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.757855 (E_RNA)
where:
Base-Base interactions energy: -924.856
where: short stacking energy: -429.992
Base-Backbone interact. energy: -0.108
local terms energy: -604.793661
where:
bonds (distance) C4'-P energy: -166.499
bonds (distance) P-C4' energy: -152.591
flat angles C4'-P-C4' energy: -128.461
flat angles P-C4'-P energy: -94.336
tors. eta vs tors. theta energy: -62.906
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: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1072.301724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.301724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.301724 (E_RNA)
where:
Base-Base interactions energy: -608.149
where: short stacking energy: -301.009
Base-Backbone interact. energy: 0.927
local terms energy: -465.079735
where:
bonds (distance) C4'-P energy: -128.079
bonds (distance) P-C4' energy: -152.830
flat angles C4'-P-C4' energy: -139.260
flat angles P-C4'-P energy: -54.299
tors. eta vs tors. theta energy: 9.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -780.179798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.179798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.179798 (E_RNA)
where:
Base-Base interactions energy: -374.217
where: short stacking energy: -235.976
Base-Backbone interact. energy: 10.745
local terms energy: -416.708051
where:
bonds (distance) C4'-P energy: -120.031
bonds (distance) P-C4' energy: -131.623
flat angles C4'-P-C4' energy: -107.427
flat angles P-C4'-P energy: -70.402
tors. eta vs tors. theta energy: 12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -3163.626084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3163.626084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3163.626084 (E_RNA)
where:
Base-Base interactions energy: -2222.831
where: short stacking energy: -890.321
Base-Backbone interact. energy: -4.161
local terms energy: -936.633321
where:
bonds (distance) C4'-P energy: -178.727
bonds (distance) P-C4' energy: -167.179
flat angles C4'-P-C4' energy: -187.067
flat angles P-C4'-P energy: -152.243
tors. eta vs tors. theta energy: -251.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -3034.112551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.112551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.112551 (E_RNA)
where:
Base-Base interactions energy: -2085.732
where: short stacking energy: -871.419
Base-Backbone interact. energy: -6.168
local terms energy: -942.212045
where:
bonds (distance) C4'-P energy: -176.300
bonds (distance) P-C4' energy: -181.593
flat angles C4'-P-C4' energy: -187.067
flat angles P-C4'-P energy: -131.527
tors. eta vs tors. theta energy: -265.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2863.743877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.743877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.743877 (E_RNA)
where:
Base-Base interactions energy: -1988.124
where: short stacking energy: -852.481
Base-Backbone interact. energy: 2.850
local terms energy: -878.469998
where:
bonds (distance) C4'-P energy: -171.941
bonds (distance) P-C4' energy: -169.830
flat angles C4'-P-C4' energy: -188.619
flat angles P-C4'-P energy: -112.931
tors. eta vs tors. theta energy: -235.149
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: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2651.581812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.581812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.581812 (E_RNA)
where:
Base-Base interactions energy: -1789.036
where: short stacking energy: -776.624
Base-Backbone interact. energy: 0.021
local terms energy: -862.567208
where:
bonds (distance) C4'-P energy: -162.141
bonds (distance) P-C4' energy: -164.207
flat angles C4'-P-C4' energy: -197.148
flat angles P-C4'-P energy: -124.543
tors. eta vs tors. theta energy: -214.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2442.493306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.493306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.493306 (E_RNA)
where:
Base-Base interactions energy: -1693.510
where: short stacking energy: -704.826
Base-Backbone interact. energy: 2.193
local terms energy: -751.176752
where:
bonds (distance) C4'-P energy: -143.366
bonds (distance) P-C4' energy: -148.989
flat angles C4'-P-C4' energy: -163.281
flat angles P-C4'-P energy: -100.614
tors. eta vs tors. theta energy: -194.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2263.759030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.759030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.759030 (E_RNA)
where:
Base-Base interactions energy: -1476.820
where: short stacking energy: -680.671
Base-Backbone interact. energy: -0.866
local terms energy: -786.073339
where:
bonds (distance) C4'-P energy: -149.080
bonds (distance) P-C4' energy: -162.249
flat angles C4'-P-C4' energy: -183.387
flat angles P-C4'-P energy: -119.172
tors. eta vs tors. theta energy: -172.185
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: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2211.092739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.092739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.092739 (E_RNA)
where:
Base-Base interactions energy: -1470.175
where: short stacking energy: -604.123
Base-Backbone interact. energy: -2.943
local terms energy: -737.974306
where:
bonds (distance) C4'-P energy: -143.470
bonds (distance) P-C4' energy: -155.202
flat angles C4'-P-C4' energy: -169.221
flat angles P-C4'-P energy: -114.761
tors. eta vs tors. theta energy: -155.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1529.771643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.771643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.771643 (E_RNA)
where:
Base-Base interactions energy: -929.028
where: short stacking energy: -440.941
Base-Backbone interact. energy: -1.050
local terms energy: -599.693613
where:
bonds (distance) C4'-P energy: -142.223
bonds (distance) P-C4' energy: -160.306
flat angles C4'-P-C4' energy: -136.300
flat angles P-C4'-P energy: -100.417
tors. eta vs tors. theta energy: -60.448
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: 394
Temperature: 1.300000
Total energy: -1115.259454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.259454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.259454 (E_RNA)
where:
Base-Base interactions energy: -579.418
where: short stacking energy: -319.519
Base-Backbone interact. energy: -0.166
local terms energy: -535.675673
where:
bonds (distance) C4'-P energy: -135.416
bonds (distance) P-C4' energy: -153.906
flat angles C4'-P-C4' energy: -129.030
flat angles P-C4'-P energy: -93.007
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -759.692230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.692230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.692230 (E_RNA)
where:
Base-Base interactions energy: -329.688
where: short stacking energy: -207.860
Base-Backbone interact. energy: 8.120
local terms energy: -438.124364
where:
bonds (distance) C4'-P energy: -134.050
bonds (distance) P-C4' energy: -151.423
flat angles C4'-P-C4' energy: -124.617
flat angles P-C4'-P energy: -67.577
tors. eta vs tors. theta energy: 39.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -3148.779609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3148.779609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3148.779609 (E_RNA)
where:
Base-Base interactions energy: -2197.777
where: short stacking energy: -854.119
Base-Backbone interact. energy: -1.056
local terms energy: -949.946356
where:
bonds (distance) C4'-P energy: -167.545
bonds (distance) P-C4' energy: -179.919
flat angles C4'-P-C4' energy: -200.794
flat angles P-C4'-P energy: -137.966
tors. eta vs tors. theta energy: -263.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -3040.346767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.346767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.346767 (E_RNA)
where:
Base-Base interactions energy: -2048.191
where: short stacking energy: -892.950
Base-Backbone interact. energy: -4.716
local terms energy: -987.439952
where:
bonds (distance) C4'-P energy: -192.503
bonds (distance) P-C4' energy: -171.478
flat angles C4'-P-C4' energy: -205.987
flat angles P-C4'-P energy: -141.609
tors. eta vs tors. theta energy: -275.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2886.748682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.748682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.748682 (E_RNA)
where:
Base-Base interactions energy: -1996.240
where: short stacking energy: -809.145
Base-Backbone interact. energy: -0.283
local terms energy: -890.225817
where:
bonds (distance) C4'-P energy: -156.809
bonds (distance) P-C4' energy: -177.363
flat angles C4'-P-C4' energy: -179.078
flat angles P-C4'-P energy: -132.070
tors. eta vs tors. theta energy: -244.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2656.665442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.665442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.665442 (E_RNA)
where:
Base-Base interactions energy: -1771.897
where: short stacking energy: -797.464
Base-Backbone interact. energy: -3.599
local terms energy: -881.169290
where:
bonds (distance) C4'-P energy: -168.953
bonds (distance) P-C4' energy: -154.169
flat angles C4'-P-C4' energy: -197.301
flat angles P-C4'-P energy: -115.047
tors. eta vs tors. theta energy: -245.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2450.569709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.569709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.569709 (E_RNA)
where:
Base-Base interactions energy: -1644.196
where: short stacking energy: -721.596
Base-Backbone interact. energy: -2.002
local terms energy: -804.372162
where:
bonds (distance) C4'-P energy: -131.390
bonds (distance) P-C4' energy: -175.902
flat angles C4'-P-C4' energy: -179.620
flat angles P-C4'-P energy: -119.077
tors. eta vs tors. theta energy: -198.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2250.412467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.412467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.412467 (E_RNA)
where:
Base-Base interactions energy: -1501.302
where: short stacking energy: -658.076
Base-Backbone interact. energy: -0.478
local terms energy: -748.632601
where:
bonds (distance) C4'-P energy: -151.846
bonds (distance) P-C4' energy: -174.468
flat angles C4'-P-C4' energy: -159.530
flat angles P-C4'-P energy: -96.118
tors. eta vs tors. theta energy: -166.671
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: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2105.599945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.599945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.599945 (E_RNA)
where:
Base-Base interactions energy: -1369.939
where: short stacking energy: -570.884
Base-Backbone interact. energy: 0.411
local terms energy: -736.071803
where:
bonds (distance) C4'-P energy: -148.504
bonds (distance) P-C4' energy: -150.084
flat angles C4'-P-C4' energy: -181.552
flat angles P-C4'-P energy: -106.924
tors. eta vs tors. theta energy: -149.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1580.982054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.982054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.982054 (E_RNA)
where:
Base-Base interactions energy: -965.539
where: short stacking energy: -461.471
Base-Backbone interact. energy: -1.438
local terms energy: -614.005348
where:
bonds (distance) C4'-P energy: -160.818
bonds (distance) P-C4' energy: -144.356
flat angles C4'-P-C4' energy: -119.691
flat angles P-C4'-P energy: -112.950
tors. eta vs tors. theta energy: -76.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1060.214851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.214851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.214851 (E_RNA)
where:
Base-Base interactions energy: -550.687
where: short stacking energy: -302.189
Base-Backbone interact. energy: 6.955
local terms energy: -516.482984
where:
bonds (distance) C4'-P energy: -158.776
bonds (distance) P-C4' energy: -155.939
flat angles C4'-P-C4' energy: -125.735
flat angles P-C4'-P energy: -82.960
tors. eta vs tors. theta energy: 6.926
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -778.496713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.496713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.496713 (E_RNA)
where:
Base-Base interactions energy: -337.475
where: short stacking energy: -210.136
Base-Backbone interact. energy: 1.769
local terms energy: -442.790578
where:
bonds (distance) C4'-P energy: -145.973
bonds (distance) P-C4' energy: -144.036
flat angles C4'-P-C4' energy: -119.851
flat angles P-C4'-P energy: -71.214
tors. eta vs tors. theta energy: 38.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -3103.977899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3103.977899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3103.977899 (E_RNA)
where:
Base-Base interactions energy: -2169.252
where: short stacking energy: -872.386
Base-Backbone interact. energy: -1.247
local terms energy: -933.479425
where:
bonds (distance) C4'-P energy: -186.067
bonds (distance) P-C4' energy: -183.618
flat angles C4'-P-C4' energy: -198.322
flat angles P-C4'-P energy: -132.795
tors. eta vs tors. theta energy: -232.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2992.519971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.519971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.519971 (E_RNA)
where:
Base-Base interactions energy: -2057.582
where: short stacking energy: -905.092
Base-Backbone interact. energy: -4.573
local terms energy: -930.365644
where:
bonds (distance) C4'-P energy: -164.623
bonds (distance) P-C4' energy: -165.938
flat angles C4'-P-C4' energy: -197.204
flat angles P-C4'-P energy: -124.652
tors. eta vs tors. theta energy: -277.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2875.413719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.413719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.413719 (E_RNA)
where:
Base-Base interactions energy: -1991.413
where: short stacking energy: -820.539
Base-Backbone interact. energy: 0.027
local terms energy: -884.027109
where:
bonds (distance) C4'-P energy: -155.397
bonds (distance) P-C4' energy: -170.473
flat angles C4'-P-C4' energy: -191.140
flat angles P-C4'-P energy: -127.627
tors. eta vs tors. theta energy: -239.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2655.326314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.326314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.326314 (E_RNA)
where:
Base-Base interactions energy: -1780.333
where: short stacking energy: -756.746
Base-Backbone interact. energy: -2.304
local terms energy: -872.689421
where:
bonds (distance) C4'-P energy: -171.099
bonds (distance) P-C4' energy: -144.580
flat angles C4'-P-C4' energy: -196.413
flat angles P-C4'-P energy: -120.877
tors. eta vs tors. theta energy: -239.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2461.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.753586 (E_RNA)
where:
Base-Base interactions energy: -1670.372
where: short stacking energy: -691.273
Base-Backbone interact. energy: -0.337
local terms energy: -791.044660
where:
bonds (distance) C4'-P energy: -134.796
bonds (distance) P-C4' energy: -173.854
flat angles C4'-P-C4' energy: -178.793
flat angles P-C4'-P energy: -127.657
tors. eta vs tors. theta energy: -175.945
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: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2185.777957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.777957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.777957 (E_RNA)
where:
Base-Base interactions energy: -1439.888
where: short stacking energy: -641.511
Base-Backbone interact. energy: -5.489
local terms energy: -740.400981
where:
bonds (distance) C4'-P energy: -146.054
bonds (distance) P-C4' energy: -162.146
flat angles C4'-P-C4' energy: -178.412
flat angles P-C4'-P energy: -95.948
tors. eta vs tors. theta energy: -157.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2090.341434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.341434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.341434 (E_RNA)
where:
Base-Base interactions energy: -1375.230
where: short stacking energy: -589.398
Base-Backbone interact. energy: -2.603
local terms energy: -712.507696
where:
bonds (distance) C4'-P energy: -143.702
bonds (distance) P-C4' energy: -146.849
flat angles C4'-P-C4' energy: -156.871
flat angles P-C4'-P energy: -111.170
tors. eta vs tors. theta energy: -153.915
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1501.573113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.573113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.573113 (E_RNA)
where:
Base-Base interactions energy: -933.745
where: short stacking energy: -458.669
Base-Backbone interact. energy: 3.631
local terms energy: -571.459541
where:
bonds (distance) C4'-P energy: -132.395
bonds (distance) P-C4' energy: -129.110
flat angles C4'-P-C4' energy: -154.866
flat angles P-C4'-P energy: -80.548
tors. eta vs tors. theta energy: -74.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1041.744918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.744918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.744918 (E_RNA)
where:
Base-Base interactions energy: -529.612
where: short stacking energy: -296.333
Base-Backbone interact. energy: 2.500
local terms energy: -514.633071
where:
bonds (distance) C4'-P energy: -132.274
bonds (distance) P-C4' energy: -173.801
flat angles C4'-P-C4' energy: -118.975
flat angles P-C4'-P energy: -94.755
tors. eta vs tors. theta energy: 5.171
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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -835.818156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.818156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.818156 (E_RNA)
where:
Base-Base interactions energy: -405.986
where: short stacking energy: -270.019
Base-Backbone interact. energy: 1.958
local terms energy: -431.790134
where:
bonds (distance) C4'-P energy: -131.366
bonds (distance) P-C4' energy: -143.035
flat angles C4'-P-C4' energy: -95.736
flat angles P-C4'-P energy: -78.468
tors. eta vs tors. theta energy: 16.815
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: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -3104.253235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3104.253235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3104.253235 (E_RNA)
where:
Base-Base interactions energy: -2154.073
where: short stacking energy: -834.303
Base-Backbone interact. energy: -4.219
local terms energy: -945.961564
where:
bonds (distance) C4'-P energy: -183.397
bonds (distance) P-C4' energy: -184.087
flat angles C4'-P-C4' energy: -198.828
flat angles P-C4'-P energy: -135.846
tors. eta vs tors. theta energy: -243.803
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: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -3018.986929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3018.986929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.986929 (E_RNA)
where:
Base-Base interactions energy: -2065.293
where: short stacking energy: -871.595
Base-Backbone interact. energy: 0.115
local terms energy: -953.809085
where:
bonds (distance) C4'-P energy: -159.672
bonds (distance) P-C4' energy: -187.324
flat angles C4'-P-C4' energy: -200.767
flat angles P-C4'-P energy: -128.410
tors. eta vs tors. theta energy: -277.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2919.656383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.656383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.656383 (E_RNA)
where:
Base-Base interactions energy: -2018.905
where: short stacking energy: -849.401
Base-Backbone interact. energy: -4.057
local terms energy: -896.693974
where:
bonds (distance) C4'-P energy: -170.810
bonds (distance) P-C4' energy: -166.832
flat angles C4'-P-C4' energy: -190.984
flat angles P-C4'-P energy: -125.556
tors. eta vs tors. theta energy: -242.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2697.317324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.317324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.317324 (E_RNA)
where:
Base-Base interactions energy: -1802.947
where: short stacking energy: -750.970
Base-Backbone interact. energy: 3.630
local terms energy: -898.000230
where:
bonds (distance) C4'-P energy: -150.659
bonds (distance) P-C4' energy: -176.016
flat angles C4'-P-C4' energy: -204.331
flat angles P-C4'-P energy: -131.240
tors. eta vs tors. theta energy: -235.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2447.579674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.579674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.579674 (E_RNA)
where:
Base-Base interactions energy: -1646.010
where: short stacking energy: -711.468
Base-Backbone interact. energy: -3.195
local terms energy: -798.375071
where:
bonds (distance) C4'-P energy: -144.208
bonds (distance) P-C4' energy: -173.796
flat angles C4'-P-C4' energy: -187.957
flat angles P-C4'-P energy: -106.887
tors. eta vs tors. theta energy: -185.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2294.231940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.231940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.231940 (E_RNA)
where:
Base-Base interactions energy: -1520.469
where: short stacking energy: -690.789
Base-Backbone interact. energy: -1.901
local terms energy: -771.862201
where:
bonds (distance) C4'-P energy: -146.861
bonds (distance) P-C4' energy: -153.064
flat angles C4'-P-C4' energy: -181.723
flat angles P-C4'-P energy: -110.966
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: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2088.870061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.870061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.870061 (E_RNA)
where:
Base-Base interactions energy: -1340.999
where: short stacking energy: -588.720
Base-Backbone interact. energy: -2.605
local terms energy: -745.266478
where:
bonds (distance) C4'-P energy: -151.831
bonds (distance) P-C4' energy: -156.195
flat angles C4'-P-C4' energy: -166.768
flat angles P-C4'-P energy: -128.021
tors. eta vs tors. theta energy: -142.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1530.349424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.349424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.349424 (E_RNA)
where:
Base-Base interactions energy: -916.327
where: short stacking energy: -438.223
Base-Backbone interact. energy: -2.718
local terms energy: -611.304061
where:
bonds (distance) C4'-P energy: -146.145
bonds (distance) P-C4' energy: -176.429
flat angles C4'-P-C4' energy: -122.896
flat angles P-C4'-P energy: -93.439
tors. eta vs tors. theta energy: -72.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1019.065908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.065908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.065908 (E_RNA)
where:
Base-Base interactions energy: -501.577
where: short stacking energy: -310.667
Base-Backbone interact. energy: 3.783
local terms energy: -521.271853
where:
bonds (distance) C4'-P energy: -140.908
bonds (distance) P-C4' energy: -127.867
flat angles C4'-P-C4' energy: -157.164
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -810.980063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.980063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.980063 (E_RNA)
where:
Base-Base interactions energy: -354.925
where: short stacking energy: -219.979
Base-Backbone interact. energy: -4.274
local terms energy: -451.781127
where:
bonds (distance) C4'-P energy: -145.451
bonds (distance) P-C4' energy: -156.181
flat angles C4'-P-C4' energy: -118.633
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: 32.147
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: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -3074.246466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.246466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.246466 (E_RNA)
where:
Base-Base interactions energy: -2104.597
where: short stacking energy: -896.466
Base-Backbone interact. energy: -1.631
local terms energy: -968.017977
where:
bonds (distance) C4'-P energy: -162.746
bonds (distance) P-C4' energy: -177.988
flat angles C4'-P-C4' energy: -203.701
flat angles P-C4'-P energy: -137.714
tors. eta vs tors. theta energy: -285.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -3070.702533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3070.702533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3070.702533 (E_RNA)
where:
Base-Base interactions energy: -2142.155
where: short stacking energy: -847.363
Base-Backbone interact. energy: -3.410
local terms energy: -925.137642
where:
bonds (distance) C4'-P energy: -172.178
bonds (distance) P-C4' energy: -178.237
flat angles C4'-P-C4' energy: -197.998
flat angles P-C4'-P energy: -134.060
tors. eta vs tors. theta energy: -242.665
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: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2954.691768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.691768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.691768 (E_RNA)
where:
Base-Base interactions energy: -2066.545
where: short stacking energy: -854.069
Base-Backbone interact. energy: -2.132
local terms energy: -886.014810
where:
bonds (distance) C4'-P energy: -146.625
bonds (distance) P-C4' energy: -183.129
flat angles C4'-P-C4' energy: -190.966
flat angles P-C4'-P energy: -113.804
tors. eta vs tors. theta energy: -251.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2697.531779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.531779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.531779 (E_RNA)
where:
Base-Base interactions energy: -1779.783
where: short stacking energy: -785.180
Base-Backbone interact. energy: 1.213
local terms energy: -918.961348
where:
bonds (distance) C4'-P energy: -168.938
bonds (distance) P-C4' energy: -166.753
flat angles C4'-P-C4' energy: -191.313
flat angles P-C4'-P energy: -136.087
tors. eta vs tors. theta energy: -255.870
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: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2518.215061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.215061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.215061 (E_RNA)
where:
Base-Base interactions energy: -1701.228
where: short stacking energy: -750.432
Base-Backbone interact. energy: 0.337
local terms energy: -817.324295
where:
bonds (distance) C4'-P energy: -146.132
bonds (distance) P-C4' energy: -165.421
flat angles C4'-P-C4' energy: -182.797
flat angles P-C4'-P energy: -120.219
tors. eta vs tors. theta energy: -202.755
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2245.128535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.128535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.128535 (E_RNA)
where:
Base-Base interactions energy: -1491.383
where: short stacking energy: -652.014
Base-Backbone interact. energy: -1.932
local terms energy: -751.813000
where:
bonds (distance) C4'-P energy: -157.821
bonds (distance) P-C4' energy: -148.018
flat angles C4'-P-C4' energy: -168.542
flat angles P-C4'-P energy: -93.612
tors. eta vs tors. theta energy: -183.821
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2070.244897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.244897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.244897 (E_RNA)
where:
Base-Base interactions energy: -1365.495
where: short stacking energy: -560.027
Base-Backbone interact. energy: 0.557
local terms energy: -705.307062
where:
bonds (distance) C4'-P energy: -140.774
bonds (distance) P-C4' energy: -152.593
flat angles C4'-P-C4' energy: -169.277
flat angles P-C4'-P energy: -106.491
tors. eta vs tors. theta energy: -136.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1538.171050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.171050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.171050 (E_RNA)
where:
Base-Base interactions energy: -943.337
where: short stacking energy: -445.717
Base-Backbone interact. energy: 2.116
local terms energy: -596.949570
where:
bonds (distance) C4'-P energy: -132.844
bonds (distance) P-C4' energy: -124.248
flat angles C4'-P-C4' energy: -151.869
flat angles P-C4'-P energy: -103.882
tors. eta vs tors. theta energy: -84.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -970.646271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.646271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.646271 (E_RNA)
where:
Base-Base interactions energy: -507.062
where: short stacking energy: -297.028
Base-Backbone interact. energy: 2.877
local terms energy: -466.461294
where:
bonds (distance) C4'-P energy: -135.754
bonds (distance) P-C4' energy: -139.787
flat angles C4'-P-C4' energy: -114.165
flat angles P-C4'-P energy: -76.624
tors. eta vs tors. theta energy: -0.132
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: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -786.528186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.528186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.528186 (E_RNA)
where:
Base-Base interactions energy: -337.533
where: short stacking energy: -193.945
Base-Backbone interact. energy: 7.441
local terms energy: -456.436748
where:
bonds (distance) C4'-P energy: -135.453
bonds (distance) P-C4' energy: -154.423
flat angles C4'-P-C4' energy: -109.907
flat angles P-C4'-P energy: -69.904
tors. eta vs tors. theta energy: 13.250
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: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -3107.036951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3107.036951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3107.036951 (E_RNA)
where:
Base-Base interactions energy: -2128.339
where: short stacking energy: -900.626
Base-Backbone interact. energy: -5.698
local terms energy: -972.999791
where:
bonds (distance) C4'-P energy: -188.527
bonds (distance) P-C4' energy: -167.293
flat angles C4'-P-C4' energy: -201.412
flat angles P-C4'-P energy: -139.391
tors. eta vs tors. theta energy: -276.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -3081.480261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3081.480261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3081.480261 (E_RNA)
where:
Base-Base interactions energy: -2129.633
where: short stacking energy: -861.258
Base-Backbone interact. energy: 1.303
local terms energy: -953.149889
where:
bonds (distance) C4'-P energy: -185.948
bonds (distance) P-C4' energy: -157.610
flat angles C4'-P-C4' energy: -197.269
flat angles P-C4'-P energy: -143.673
tors. eta vs tors. theta energy: -268.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2854.080213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.080213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.080213 (E_RNA)
where:
Base-Base interactions energy: -1953.944
where: short stacking energy: -799.135
Base-Backbone interact. energy: -4.856
local terms energy: -895.279503
where:
bonds (distance) C4'-P energy: -158.300
bonds (distance) P-C4' energy: -178.253
flat angles C4'-P-C4' energy: -196.998
flat angles P-C4'-P energy: -127.855
tors. eta vs tors. theta energy: -233.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2691.607866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.607866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.607866 (E_RNA)
where:
Base-Base interactions energy: -1779.211
where: short stacking energy: -806.076
Base-Backbone interact. energy: -4.713
local terms energy: -907.684447
where:
bonds (distance) C4'-P energy: -163.605
bonds (distance) P-C4' energy: -189.915
flat angles C4'-P-C4' energy: -186.351
flat angles P-C4'-P energy: -129.573
tors. eta vs tors. theta energy: -238.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2472.782103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.782103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.782103 (E_RNA)
where:
Base-Base interactions energy: -1663.990
where: short stacking energy: -685.487
Base-Backbone interact. energy: -0.312
local terms energy: -808.480055
where:
bonds (distance) C4'-P energy: -172.262
bonds (distance) P-C4' energy: -135.685
flat angles C4'-P-C4' energy: -171.128
flat angles P-C4'-P energy: -119.483
tors. eta vs tors. theta energy: -209.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2248.659459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.659459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.659459 (E_RNA)
where:
Base-Base interactions energy: -1439.840
where: short stacking energy: -638.988
Base-Backbone interact. energy: -1.076
local terms energy: -807.743821
where:
bonds (distance) C4'-P energy: -161.587
bonds (distance) P-C4' energy: -178.181
flat angles C4'-P-C4' energy: -190.693
flat angles P-C4'-P energy: -102.189
tors. eta vs tors. theta energy: -175.093
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: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2071.100145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.100145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.100145 (E_RNA)
where:
Base-Base interactions energy: -1353.239
where: short stacking energy: -563.338
Base-Backbone interact. energy: -1.230
local terms energy: -716.631641
where:
bonds (distance) C4'-P energy: -159.987
bonds (distance) P-C4' energy: -154.973
flat angles C4'-P-C4' energy: -170.294
flat angles P-C4'-P energy: -85.425
tors. eta vs tors. theta energy: -145.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1558.988982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.988982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.988982 (E_RNA)
where:
Base-Base interactions energy: -978.932
where: short stacking energy: -457.208
Base-Backbone interact. energy: -3.064
local terms energy: -576.992844
where:
bonds (distance) C4'-P energy: -124.865
bonds (distance) P-C4' energy: -143.760
flat angles C4'-P-C4' energy: -146.307
flat angles P-C4'-P energy: -90.010
tors. eta vs tors. theta energy: -72.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -914.590483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.590483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.590483 (E_RNA)
where:
Base-Base interactions energy: -409.812
where: short stacking energy: -229.663
Base-Backbone interact. energy: 4.916
local terms energy: -509.694961
where:
bonds (distance) C4'-P energy: -164.407
bonds (distance) P-C4' energy: -150.856
flat angles C4'-P-C4' energy: -125.748
flat angles P-C4'-P energy: -73.184
tors. eta vs tors. theta energy: 4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -906.003314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.003314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.003314 (E_RNA)
where:
Base-Base interactions energy: -415.782
where: short stacking energy: -227.522
Base-Backbone interact. energy: 8.404
local terms energy: -498.625503
where:
bonds (distance) C4'-P energy: -162.523
bonds (distance) P-C4' energy: -153.886
flat angles C4'-P-C4' energy: -119.306
flat angles P-C4'-P energy: -80.188
tors. eta vs tors. theta energy: 17.276
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: 400
Temperature: 0.900000
Total energy: -3106.129540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3106.129540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3106.129540 (E_RNA)
where:
Base-Base interactions energy: -2147.117
where: short stacking energy: -895.983
Base-Backbone interact. energy: -4.794
local terms energy: -954.218824
where:
bonds (distance) C4'-P energy: -186.883
bonds (distance) P-C4' energy: -174.430
flat angles C4'-P-C4' energy: -192.246
flat angles P-C4'-P energy: -124.315
tors. eta vs tors. theta energy: -276.345
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: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -3101.161427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3101.161427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3101.161427 (E_RNA)
where:
Base-Base interactions energy: -2177.362
where: short stacking energy: -899.881
Base-Backbone interact. energy: 3.296
local terms energy: -927.095128
where:
bonds (distance) C4'-P energy: -149.513
bonds (distance) P-C4' energy: -192.368
flat angles C4'-P-C4' energy: -201.077
flat angles P-C4'-P energy: -127.095
tors. eta vs tors. theta energy: -257.041
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2850.002606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.002606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.002606 (E_RNA)
where:
Base-Base interactions energy: -1963.089
where: short stacking energy: -790.671
Base-Backbone interact. energy: 1.351
local terms energy: -888.264341
where:
bonds (distance) C4'-P energy: -160.689
bonds (distance) P-C4' energy: -178.241
flat angles C4'-P-C4' energy: -188.483
flat angles P-C4'-P energy: -131.018
tors. eta vs tors. theta energy: -229.834
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: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2617.432095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.432095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.432095 (E_RNA)
where:
Base-Base interactions energy: -1751.637
where: short stacking energy: -781.990
Base-Backbone interact. energy: -3.136
local terms energy: -862.658860
where:
bonds (distance) C4'-P energy: -149.043
bonds (distance) P-C4' energy: -173.169
flat angles C4'-P-C4' energy: -187.463
flat angles P-C4'-P energy: -114.931
tors. eta vs tors. theta energy: -238.053
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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2446.351618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.351618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.351618 (E_RNA)
where:
Base-Base interactions energy: -1662.776
where: short stacking energy: -690.464
Base-Backbone interact. energy: -1.509
local terms energy: -782.066684
where:
bonds (distance) C4'-P energy: -141.151
bonds (distance) P-C4' energy: -164.224
flat angles C4'-P-C4' energy: -185.894
flat angles P-C4'-P energy: -111.155
tors. eta vs tors. theta energy: -179.643
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: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2300.196067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.196067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.196067 (E_RNA)
where:
Base-Base interactions energy: -1487.747
where: short stacking energy: -661.880
Base-Backbone interact. energy: -0.194
local terms energy: -812.254608
where:
bonds (distance) C4'-P energy: -159.303
bonds (distance) P-C4' energy: -166.878
flat angles C4'-P-C4' energy: -182.457
flat angles P-C4'-P energy: -115.935
tors. eta vs tors. theta energy: -187.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2082.324476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.324476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.324476 (E_RNA)
where:
Base-Base interactions energy: -1358.765
where: short stacking energy: -577.023
Base-Backbone interact. energy: -4.865
local terms energy: -718.693948
where:
bonds (distance) C4'-P energy: -149.143
bonds (distance) P-C4' energy: -155.858
flat angles C4'-P-C4' energy: -167.689
flat angles P-C4'-P energy: -101.159
tors. eta vs tors. theta energy: -144.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1507.112149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.112149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.112149 (E_RNA)
where:
Base-Base interactions energy: -914.261
where: short stacking energy: -454.061
Base-Backbone interact. energy: 0.681
local terms energy: -593.532589
where:
bonds (distance) C4'-P energy: -136.543
bonds (distance) P-C4' energy: -145.273
flat angles C4'-P-C4' energy: -158.615
flat angles P-C4'-P energy: -88.506
tors. eta vs tors. theta energy: -64.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -911.656719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.656719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.656719 (E_RNA)
where:
Base-Base interactions energy: -399.880
where: short stacking energy: -248.199
Base-Backbone interact. energy: 2.594
local terms energy: -514.370301
where:
bonds (distance) C4'-P energy: -162.587
bonds (distance) P-C4' energy: -166.146
flat angles C4'-P-C4' energy: -128.163
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -917.745352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.745352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.745352 (E_RNA)
where:
Base-Base interactions energy: -436.577
where: short stacking energy: -250.501
Base-Backbone interact. energy: -1.871
local terms energy: -479.297411
where:
bonds (distance) C4'-P energy: -155.535
bonds (distance) P-C4' energy: -135.858
flat angles C4'-P-C4' energy: -127.620
flat angles P-C4'-P energy: -84.645
tors. eta vs tors. theta energy: 24.361
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: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -3097.830578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3097.830578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3097.830578 (E_RNA)
where:
Base-Base interactions energy: -2148.641
where: short stacking energy: -907.856
Base-Backbone interact. energy: -1.570
local terms energy: -947.619561
where:
bonds (distance) C4'-P energy: -172.300
bonds (distance) P-C4' energy: -179.092
flat angles C4'-P-C4' energy: -183.659
flat angles P-C4'-P energy: -139.208
tors. eta vs tors. theta energy: -273.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -3035.179670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.179670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.179670 (E_RNA)
where:
Base-Base interactions energy: -2090.036
where: short stacking energy: -876.620
Base-Backbone interact. energy: -0.200
local terms energy: -944.943628
where:
bonds (distance) C4'-P energy: -187.076
bonds (distance) P-C4' energy: -181.755
flat angles C4'-P-C4' energy: -195.118
flat angles P-C4'-P energy: -124.753
tors. eta vs tors. theta energy: -256.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2845.927660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.927660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.927660 (E_RNA)
where:
Base-Base interactions energy: -1960.373
where: short stacking energy: -799.191
Base-Backbone interact. energy: -4.112
local terms energy: -881.442791
where:
bonds (distance) C4'-P energy: -168.159
bonds (distance) P-C4' energy: -175.876
flat angles C4'-P-C4' energy: -191.153
flat angles P-C4'-P energy: -124.892
tors. eta vs tors. theta energy: -221.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2642.060700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.060700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.060700 (E_RNA)
where:
Base-Base interactions energy: -1741.443
where: short stacking energy: -747.093
Base-Backbone interact. energy: -2.890
local terms energy: -897.728412
where:
bonds (distance) C4'-P energy: -187.790
bonds (distance) P-C4' energy: -159.727
flat angles C4'-P-C4' energy: -198.614
flat angles P-C4'-P energy: -115.881
tors. eta vs tors. theta energy: -235.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2473.609154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.609154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.609154 (E_RNA)
where:
Base-Base interactions energy: -1659.208
where: short stacking energy: -715.119
Base-Backbone interact. energy: -6.069
local terms energy: -808.331989
where:
bonds (distance) C4'-P energy: -160.586
bonds (distance) P-C4' energy: -157.625
flat angles C4'-P-C4' energy: -180.217
flat angles P-C4'-P energy: -116.203
tors. eta vs tors. theta energy: -193.700
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: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2261.133960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.133960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.133960 (E_RNA)
where:
Base-Base interactions energy: -1512.812
where: short stacking energy: -685.515
Base-Backbone interact. energy: 2.374
local terms energy: -750.695729
where:
bonds (distance) C4'-P energy: -149.678
bonds (distance) P-C4' energy: -159.001
flat angles C4'-P-C4' energy: -163.184
flat angles P-C4'-P energy: -105.425
tors. eta vs tors. theta energy: -173.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2108.973781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.973781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.973781 (E_RNA)
where:
Base-Base interactions energy: -1396.189
where: short stacking energy: -594.490
Base-Backbone interact. energy: -2.046
local terms energy: -710.739276
where:
bonds (distance) C4'-P energy: -150.256
bonds (distance) P-C4' energy: -144.234
flat angles C4'-P-C4' energy: -180.760
flat angles P-C4'-P energy: -84.768
tors. eta vs tors. theta energy: -150.722
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1547.362277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.362277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.362277 (E_RNA)
where:
Base-Base interactions energy: -920.279
where: short stacking energy: -432.545
Base-Backbone interact. energy: 10.914
local terms energy: -637.997085
where:
bonds (distance) C4'-P energy: -159.344
bonds (distance) P-C4' energy: -153.783
flat angles C4'-P-C4' energy: -151.837
flat angles P-C4'-P energy: -107.787
tors. eta vs tors. theta energy: -65.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -891.298498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.298498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.298498 (E_RNA)
where:
Base-Base interactions energy: -353.207
where: short stacking energy: -217.389
Base-Backbone interact. energy: -0.747
local terms energy: -537.344511
where:
bonds (distance) C4'-P energy: -149.472
bonds (distance) P-C4' energy: -174.507
flat angles C4'-P-C4' energy: -140.490
flat angles P-C4'-P energy: -82.939
tors. eta vs tors. theta energy: 10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -857.312020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.312020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.312020 (E_RNA)
where:
Base-Base interactions energy: -427.795
where: short stacking energy: -240.361
Base-Backbone interact. energy: 5.609
local terms energy: -435.126123
where:
bonds (distance) C4'-P energy: -128.165
bonds (distance) P-C4' energy: -149.442
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -82.566
tors. eta vs tors. theta energy: 28.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -3123.889808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3123.889808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3123.889808 (E_RNA)
where:
Base-Base interactions energy: -2167.463
where: short stacking energy: -908.935
Base-Backbone interact. energy: -1.024
local terms energy: -955.402865
where:
bonds (distance) C4'-P energy: -168.341
bonds (distance) P-C4' energy: -181.648
flat angles C4'-P-C4' energy: -202.009
flat angles P-C4'-P energy: -129.364
tors. eta vs tors. theta energy: -274.041
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: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -3052.195612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.195612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.195612 (E_RNA)
where:
Base-Base interactions energy: -2093.740
where: short stacking energy: -856.322
Base-Backbone interact. energy: -2.686
local terms energy: -955.769612
where:
bonds (distance) C4'-P energy: -184.295
bonds (distance) P-C4' energy: -166.370
flat angles C4'-P-C4' energy: -196.331
flat angles P-C4'-P energy: -150.606
tors. eta vs tors. theta energy: -258.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2840.959309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.959309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.959309 (E_RNA)
where:
Base-Base interactions energy: -1945.524
where: short stacking energy: -822.045
Base-Backbone interact. energy: 0.916
local terms energy: -896.351494
where:
bonds (distance) C4'-P energy: -164.693
bonds (distance) P-C4' energy: -182.569
flat angles C4'-P-C4' energy: -193.393
flat angles P-C4'-P energy: -111.613
tors. eta vs tors. theta energy: -244.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2703.296903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.296903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.296903 (E_RNA)
where:
Base-Base interactions energy: -1822.169
where: short stacking energy: -796.790
Base-Backbone interact. energy: -3.261
local terms energy: -877.867515
where:
bonds (distance) C4'-P energy: -156.899
bonds (distance) P-C4' energy: -172.167
flat angles C4'-P-C4' energy: -176.107
flat angles P-C4'-P energy: -133.664
tors. eta vs tors. theta energy: -239.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2477.104552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.104552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.104552 (E_RNA)
where:
Base-Base interactions energy: -1678.383
where: short stacking energy: -714.785
Base-Backbone interact. energy: -3.672
local terms energy: -795.049322
where:
bonds (distance) C4'-P energy: -150.980
bonds (distance) P-C4' energy: -164.985
flat angles C4'-P-C4' energy: -184.535
flat angles P-C4'-P energy: -103.193
tors. eta vs tors. theta energy: -191.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2198.483515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.483515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.483515 (E_RNA)
where:
Base-Base interactions energy: -1444.096
where: short stacking energy: -651.479
Base-Backbone interact. energy: -2.364
local terms energy: -752.023181
where:
bonds (distance) C4'-P energy: -153.580
bonds (distance) P-C4' energy: -147.140
flat angles C4'-P-C4' energy: -164.068
flat angles P-C4'-P energy: -120.265
tors. eta vs tors. theta energy: -166.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2131.052860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.052860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.052860 (E_RNA)
where:
Base-Base interactions energy: -1443.984
where: short stacking energy: -623.035
Base-Backbone interact. energy: -2.303
local terms energy: -684.765816
where:
bonds (distance) C4'-P energy: -150.026
bonds (distance) P-C4' energy: -145.511
flat angles C4'-P-C4' energy: -156.521
flat angles P-C4'-P energy: -81.959
tors. eta vs tors. theta energy: -150.749
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: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1535.152014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.152014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.152014 (E_RNA)
where:
Base-Base interactions energy: -920.664
where: short stacking energy: -459.467
Base-Backbone interact. energy: -0.726
local terms energy: -613.761909
where:
bonds (distance) C4'-P energy: -151.541
bonds (distance) P-C4' energy: -145.341
flat angles C4'-P-C4' energy: -146.156
flat angles P-C4'-P energy: -82.288
tors. eta vs tors. theta energy: -88.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -962.017839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.017839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.017839 (E_RNA)
where:
Base-Base interactions energy: -435.189
where: short stacking energy: -242.225
Base-Backbone interact. energy: 0.677
local terms energy: -527.505525
where:
bonds (distance) C4'-P energy: -149.626
bonds (distance) P-C4' energy: -169.183
flat angles C4'-P-C4' energy: -128.765
flat angles P-C4'-P energy: -88.267
tors. eta vs tors. theta energy: 8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -843.756983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.756983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.756983 (E_RNA)
where:
Base-Base interactions energy: -387.928
where: short stacking energy: -241.167
Base-Backbone interact. energy: -3.407
local terms energy: -452.421661
where:
bonds (distance) C4'-P energy: -129.546
bonds (distance) P-C4' energy: -148.099
flat angles C4'-P-C4' energy: -120.560
flat angles P-C4'-P energy: -87.801
tors. eta vs tors. theta energy: 33.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -3126.520864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3126.520864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3126.520864 (E_RNA)
where:
Base-Base interactions energy: -2151.889
where: short stacking energy: -902.174
Base-Backbone interact. energy: -3.660
local terms energy: -970.972405
where:
bonds (distance) C4'-P energy: -177.098
bonds (distance) P-C4' energy: -195.992
flat angles C4'-P-C4' energy: -192.092
flat angles P-C4'-P energy: -136.231
tors. eta vs tors. theta energy: -269.560
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: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -3037.516735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.516735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.516735 (E_RNA)
where:
Base-Base interactions energy: -2115.104
where: short stacking energy: -858.454
Base-Backbone interact. energy: -6.246
local terms energy: -916.166998
where:
bonds (distance) C4'-P energy: -178.600
bonds (distance) P-C4' energy: -176.026
flat angles C4'-P-C4' energy: -190.738
flat angles P-C4'-P energy: -113.432
tors. eta vs tors. theta energy: -257.371
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: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2843.477343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.477343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.477343 (E_RNA)
where:
Base-Base interactions energy: -1947.728
where: short stacking energy: -845.420
Base-Backbone interact. energy: 1.181
local terms energy: -896.929751
where:
bonds (distance) C4'-P energy: -170.853
bonds (distance) P-C4' energy: -170.740
flat angles C4'-P-C4' energy: -196.417
flat angles P-C4'-P energy: -103.099
tors. eta vs tors. theta energy: -255.821
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: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2719.051914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.051914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.051914 (E_RNA)
where:
Base-Base interactions energy: -1808.710
where: short stacking energy: -806.635
Base-Backbone interact. energy: -1.325
local terms energy: -909.017187
where:
bonds (distance) C4'-P energy: -170.021
bonds (distance) P-C4' energy: -185.387
flat angles C4'-P-C4' energy: -196.206
flat angles P-C4'-P energy: -112.934
tors. eta vs tors. theta energy: -244.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2497.148593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.148593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.148593 (E_RNA)
where:
Base-Base interactions energy: -1658.612
where: short stacking energy: -682.204
Base-Backbone interact. energy: -1.284
local terms energy: -837.252962
where:
bonds (distance) C4'-P energy: -158.222
bonds (distance) P-C4' energy: -194.862
flat angles C4'-P-C4' energy: -178.236
flat angles P-C4'-P energy: -128.787
tors. eta vs tors. theta energy: -177.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2206.295886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.295886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.295886 (E_RNA)
where:
Base-Base interactions energy: -1464.887
where: short stacking energy: -629.508
Base-Backbone interact. energy: -0.726
local terms energy: -740.682884
where:
bonds (distance) C4'-P energy: -145.428
bonds (distance) P-C4' energy: -170.234
flat angles C4'-P-C4' energy: -176.904
flat angles P-C4'-P energy: -91.506
tors. eta vs tors. theta energy: -156.611
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: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2107.233751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.233751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.233751 (E_RNA)
where:
Base-Base interactions energy: -1382.673
where: short stacking energy: -572.201
Base-Backbone interact. energy: -0.220
local terms energy: -724.340677
where:
bonds (distance) C4'-P energy: -159.590
bonds (distance) P-C4' energy: -155.794
flat angles C4'-P-C4' energy: -167.726
flat angles P-C4'-P energy: -96.673
tors. eta vs tors. theta energy: -144.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1544.760495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.760495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.760495 (E_RNA)
where:
Base-Base interactions energy: -958.698
where: short stacking energy: -452.725
Base-Backbone interact. energy: -1.258
local terms energy: -584.804760
where:
bonds (distance) C4'-P energy: -134.235
bonds (distance) P-C4' energy: -162.786
flat angles C4'-P-C4' energy: -145.076
flat angles P-C4'-P energy: -85.919
tors. eta vs tors. theta energy: -56.788
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: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -971.789525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.789525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.789525 (E_RNA)
where:
Base-Base interactions energy: -467.957
where: short stacking energy: -264.665
Base-Backbone interact. energy: 1.211
local terms energy: -505.044312
where:
bonds (distance) C4'-P energy: -146.403
bonds (distance) P-C4' energy: -162.911
flat angles C4'-P-C4' energy: -108.748
flat angles P-C4'-P energy: -83.888
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -909.946144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.946144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.946144 (E_RNA)
where:
Base-Base interactions energy: -443.715
where: short stacking energy: -226.153
Base-Backbone interact. energy: 3.379
local terms energy: -469.610486
where:
bonds (distance) C4'-P energy: -138.439
bonds (distance) P-C4' energy: -158.674
flat angles C4'-P-C4' energy: -133.501
flat angles P-C4'-P energy: -58.659
tors. eta vs tors. theta energy: 19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -3131.142199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3131.142199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3131.142199 (E_RNA)
where:
Base-Base interactions energy: -2185.237
where: short stacking energy: -881.528
Base-Backbone interact. energy: -4.255
local terms energy: -941.650050
where:
bonds (distance) C4'-P energy: -179.172
bonds (distance) P-C4' energy: -190.656
flat angles C4'-P-C4' energy: -184.700
flat angles P-C4'-P energy: -127.983
tors. eta vs tors. theta energy: -259.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -3049.399225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.399225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.399225 (E_RNA)
where:
Base-Base interactions energy: -2064.599
where: short stacking energy: -870.568
Base-Backbone interact. energy: -4.191
local terms energy: -980.609500
where:
bonds (distance) C4'-P energy: -190.505
bonds (distance) P-C4' energy: -194.462
flat angles C4'-P-C4' energy: -203.152
flat angles P-C4'-P energy: -127.205
tors. eta vs tors. theta energy: -265.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2883.914816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.914816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.914816 (E_RNA)
where:
Base-Base interactions energy: -1980.810
where: short stacking energy: -865.892
Base-Backbone interact. energy: -4.189
local terms energy: -898.915528
where:
bonds (distance) C4'-P energy: -152.714
bonds (distance) P-C4' energy: -181.527
flat angles C4'-P-C4' energy: -192.239
flat angles P-C4'-P energy: -117.227
tors. eta vs tors. theta energy: -255.208
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: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2732.933691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.933691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.933691 (E_RNA)
where:
Base-Base interactions energy: -1842.133
where: short stacking energy: -783.302
Base-Backbone interact. energy: -2.628
local terms energy: -888.172981
where:
bonds (distance) C4'-P energy: -169.606
bonds (distance) P-C4' energy: -161.733
flat angles C4'-P-C4' energy: -180.846
flat angles P-C4'-P energy: -131.383
tors. eta vs tors. theta energy: -244.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2515.439486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.439486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.439486 (E_RNA)
where:
Base-Base interactions energy: -1699.445
where: short stacking energy: -754.293
Base-Backbone interact. energy: 0.903
local terms energy: -816.896905
where:
bonds (distance) C4'-P energy: -148.800
bonds (distance) P-C4' energy: -173.019
flat angles C4'-P-C4' energy: -171.265
flat angles P-C4'-P energy: -123.001
tors. eta vs tors. theta energy: -200.811
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: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2222.248020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.248020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.248020 (E_RNA)
where:
Base-Base interactions energy: -1459.381
where: short stacking energy: -644.837
Base-Backbone interact. energy: -2.454
local terms energy: -760.413155
where:
bonds (distance) C4'-P energy: -153.457
bonds (distance) P-C4' energy: -150.197
flat angles C4'-P-C4' energy: -172.100
flat angles P-C4'-P energy: -106.613
tors. eta vs tors. theta energy: -178.047
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: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2136.317914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.317914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.317914 (E_RNA)
where:
Base-Base interactions energy: -1427.179
where: short stacking energy: -610.019
Base-Backbone interact. energy: 0.645
local terms energy: -709.783657
where:
bonds (distance) C4'-P energy: -148.386
bonds (distance) P-C4' energy: -153.621
flat angles C4'-P-C4' energy: -164.231
flat angles P-C4'-P energy: -92.799
tors. eta vs tors. theta energy: -150.746
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1561.118451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.118451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.118451 (E_RNA)
where:
Base-Base interactions energy: -965.825
where: short stacking energy: -462.763
Base-Backbone interact. energy: 2.553
local terms energy: -597.846215
where:
bonds (distance) C4'-P energy: -133.674
bonds (distance) P-C4' energy: -139.679
flat angles C4'-P-C4' energy: -148.627
flat angles P-C4'-P energy: -89.820
tors. eta vs tors. theta energy: -86.046
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: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1005.986596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.986596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.986596 (E_RNA)
where:
Base-Base interactions energy: -509.944
where: short stacking energy: -270.850
Base-Backbone interact. energy: 1.602
local terms energy: -497.644684
where:
bonds (distance) C4'-P energy: -140.547
bonds (distance) P-C4' energy: -149.283
flat angles C4'-P-C4' energy: -132.851
flat angles P-C4'-P energy: -78.856
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -867.754318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.754318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.754318 (E_RNA)
where:
Base-Base interactions energy: -403.030
where: short stacking energy: -221.713
Base-Backbone interact. energy: -1.794
local terms energy: -462.930785
where:
bonds (distance) C4'-P energy: -157.108
bonds (distance) P-C4' energy: -141.552
flat angles C4'-P-C4' energy: -106.726
flat angles P-C4'-P energy: -77.234
tors. eta vs tors. theta energy: 19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -3157.256477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3157.256477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3157.256477 (E_RNA)
where:
Base-Base interactions energy: -2197.445
where: short stacking energy: -883.786
Base-Backbone interact. energy: -5.356
local terms energy: -954.455589
where:
bonds (distance) C4'-P energy: -185.476
bonds (distance) P-C4' energy: -182.939
flat angles C4'-P-C4' energy: -188.068
flat angles P-C4'-P energy: -128.910
tors. eta vs tors. theta energy: -269.062
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: 405
Temperature: 0.950000
Total energy: -3017.228525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3017.228525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3017.228525 (E_RNA)
where:
Base-Base interactions energy: -2080.678
where: short stacking energy: -890.815
Base-Backbone interact. energy: 0.873
local terms energy: -937.424110
where:
bonds (distance) C4'-P energy: -167.448
bonds (distance) P-C4' energy: -162.745
flat angles C4'-P-C4' energy: -202.995
flat angles P-C4'-P energy: -124.807
tors. eta vs tors. theta energy: -279.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2866.859573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.859573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.859573 (E_RNA)
where:
Base-Base interactions energy: -1971.598
where: short stacking energy: -812.849
Base-Backbone interact. energy: -3.579
local terms energy: -891.682486
where:
bonds (distance) C4'-P energy: -170.140
bonds (distance) P-C4' energy: -160.372
flat angles C4'-P-C4' energy: -193.586
flat angles P-C4'-P energy: -113.930
tors. eta vs tors. theta energy: -253.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2694.005809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.005809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.005809 (E_RNA)
where:
Base-Base interactions energy: -1787.082
where: short stacking energy: -786.026
Base-Backbone interact. energy: -2.372
local terms energy: -904.551385
where:
bonds (distance) C4'-P energy: -160.575
bonds (distance) P-C4' energy: -186.259
flat angles C4'-P-C4' energy: -190.077
flat angles P-C4'-P energy: -120.942
tors. eta vs tors. theta energy: -246.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2461.685716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.685716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.685716 (E_RNA)
where:
Base-Base interactions energy: -1687.026
where: short stacking energy: -697.305
Base-Backbone interact. energy: -1.252
local terms energy: -773.408331
where:
bonds (distance) C4'-P energy: -128.297
bonds (distance) P-C4' energy: -161.826
flat angles C4'-P-C4' energy: -185.851
flat angles P-C4'-P energy: -107.398
tors. eta vs tors. theta energy: -190.037
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: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2188.855975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.855975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.855975 (E_RNA)
where:
Base-Base interactions energy: -1447.515
where: short stacking energy: -634.683
Base-Backbone interact. energy: 4.086
local terms energy: -745.427687
where:
bonds (distance) C4'-P energy: -156.845
bonds (distance) P-C4' energy: -144.479
flat angles C4'-P-C4' energy: -174.492
flat angles P-C4'-P energy: -105.143
tors. eta vs tors. theta energy: -164.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2127.767770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.767770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.767770 (E_RNA)
where:
Base-Base interactions energy: -1401.288
where: short stacking energy: -593.806
Base-Backbone interact. energy: -1.848
local terms energy: -724.631802
where:
bonds (distance) C4'-P energy: -136.441
bonds (distance) P-C4' energy: -169.043
flat angles C4'-P-C4' energy: -176.388
flat angles P-C4'-P energy: -99.601
tors. eta vs tors. theta energy: -143.157
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: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1561.394204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.394204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.394204 (E_RNA)
where:
Base-Base interactions energy: -947.564
where: short stacking energy: -473.957
Base-Backbone interact. energy: 4.442
local terms energy: -618.271427
where:
bonds (distance) C4'-P energy: -139.994
bonds (distance) P-C4' energy: -124.439
flat angles C4'-P-C4' energy: -159.382
flat angles P-C4'-P energy: -101.644
tors. eta vs tors. theta energy: -92.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1053.796870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.796870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.796870 (E_RNA)
where:
Base-Base interactions energy: -558.036
where: short stacking energy: -302.126
Base-Backbone interact. energy: 0.025
local terms energy: -495.784914
where:
bonds (distance) C4'-P energy: -150.127
bonds (distance) P-C4' energy: -144.712
flat angles C4'-P-C4' energy: -127.058
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -882.840219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.840219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.840219 (E_RNA)
where:
Base-Base interactions energy: -432.796
where: short stacking energy: -243.543
Base-Backbone interact. energy: 1.170
local terms energy: -451.214695
where:
bonds (distance) C4'-P energy: -148.065
bonds (distance) P-C4' energy: -126.040
flat angles C4'-P-C4' energy: -117.137
flat angles P-C4'-P energy: -73.520
tors. eta vs tors. theta energy: 13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -3174.886251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3174.886251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3174.886251 (E_RNA)
where:
Base-Base interactions energy: -2228.823
where: short stacking energy: -879.054
Base-Backbone interact. energy: -7.059
local terms energy: -939.004451
where:
bonds (distance) C4'-P energy: -166.076
bonds (distance) P-C4' energy: -172.133
flat angles C4'-P-C4' energy: -208.879
flat angles P-C4'-P energy: -134.043
tors. eta vs tors. theta energy: -257.874
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: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -3060.245186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3060.245186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3060.245186 (E_RNA)
where:
Base-Base interactions energy: -2101.520
where: short stacking energy: -904.301
Base-Backbone interact. energy: -5.614
local terms energy: -953.111884
where:
bonds (distance) C4'-P energy: -168.438
bonds (distance) P-C4' energy: -174.839
flat angles C4'-P-C4' energy: -201.103
flat angles P-C4'-P energy: -138.976
tors. eta vs tors. theta energy: -269.756
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: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2881.216918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.216918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.216918 (E_RNA)
where:
Base-Base interactions energy: -1963.661
where: short stacking energy: -815.109
Base-Backbone interact. energy: -2.894
local terms energy: -914.661316
where:
bonds (distance) C4'-P energy: -178.805
bonds (distance) P-C4' energy: -162.345
flat angles C4'-P-C4' energy: -200.433
flat angles P-C4'-P energy: -125.274
tors. eta vs tors. theta energy: -247.803
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: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2729.357167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.357167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.357167 (E_RNA)
where:
Base-Base interactions energy: -1846.085
where: short stacking energy: -854.118
Base-Backbone interact. energy: 6.814
local terms energy: -890.087001
where:
bonds (distance) C4'-P energy: -152.091
bonds (distance) P-C4' energy: -173.015
flat angles C4'-P-C4' energy: -192.032
flat angles P-C4'-P energy: -134.570
tors. eta vs tors. theta energy: -238.378
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: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2530.509209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.509209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.509209 (E_RNA)
where:
Base-Base interactions energy: -1725.270
where: short stacking energy: -718.494
Base-Backbone interact. energy: -3.600
local terms energy: -801.639540
where:
bonds (distance) C4'-P energy: -145.648
bonds (distance) P-C4' energy: -178.199
flat angles C4'-P-C4' energy: -184.524
flat angles P-C4'-P energy: -97.715
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: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2205.206271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.206271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.206271 (E_RNA)
where:
Base-Base interactions energy: -1454.354
where: short stacking energy: -646.415
Base-Backbone interact. energy: -3.437
local terms energy: -747.415094
where:
bonds (distance) C4'-P energy: -144.190
bonds (distance) P-C4' energy: -159.348
flat angles C4'-P-C4' energy: -172.248
flat angles P-C4'-P energy: -100.069
tors. eta vs tors. theta energy: -171.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2090.693838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.693838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.693838 (E_RNA)
where:
Base-Base interactions energy: -1399.404
where: short stacking energy: -598.735
Base-Backbone interact. energy: 1.525
local terms energy: -692.815232
where:
bonds (distance) C4'-P energy: -118.835
bonds (distance) P-C4' energy: -170.371
flat angles C4'-P-C4' energy: -166.450
flat angles P-C4'-P energy: -107.713
tors. eta vs tors. theta energy: -129.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1477.754384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.754384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.754384 (E_RNA)
where:
Base-Base interactions energy: -885.784
where: short stacking energy: -415.828
Base-Backbone interact. energy: -0.294
local terms energy: -591.676186
where:
bonds (distance) C4'-P energy: -140.271
bonds (distance) P-C4' energy: -151.120
flat angles C4'-P-C4' energy: -157.288
flat angles P-C4'-P energy: -84.700
tors. eta vs tors. theta energy: -58.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1055.898204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.898204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.898204 (E_RNA)
where:
Base-Base interactions energy: -564.403
where: short stacking energy: -307.799
Base-Backbone interact. energy: 1.013
local terms energy: -492.508019
where:
bonds (distance) C4'-P energy: -138.512
bonds (distance) P-C4' energy: -145.615
flat angles C4'-P-C4' energy: -129.185
flat angles P-C4'-P energy: -75.213
tors. eta vs tors. theta energy: -3.983
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: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -836.293543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.293543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.293543 (E_RNA)
where:
Base-Base interactions energy: -387.590
where: short stacking energy: -213.538
Base-Backbone interact. energy: 6.321
local terms energy: -455.024338
where:
bonds (distance) C4'-P energy: -140.261
bonds (distance) P-C4' energy: -148.650
flat angles C4'-P-C4' energy: -128.230
flat angles P-C4'-P energy: -60.818
tors. eta vs tors. theta energy: 22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -3161.835110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3161.835110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3161.835110 (E_RNA)
where:
Base-Base interactions energy: -2222.485
where: short stacking energy: -899.101
Base-Backbone interact. energy: -2.593
local terms energy: -936.757336
where:
bonds (distance) C4'-P energy: -169.257
bonds (distance) P-C4' energy: -180.694
flat angles C4'-P-C4' energy: -198.247
flat angles P-C4'-P energy: -129.209
tors. eta vs tors. theta energy: -259.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -3074.029728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3074.029728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3074.029728 (E_RNA)
where:
Base-Base interactions energy: -2112.630
where: short stacking energy: -890.096
Base-Backbone interact. energy: -5.945
local terms energy: -955.454521
where:
bonds (distance) C4'-P energy: -162.155
bonds (distance) P-C4' energy: -165.345
flat angles C4'-P-C4' energy: -214.620
flat angles P-C4'-P energy: -136.955
tors. eta vs tors. theta energy: -276.380
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: 407
Temperature: 1.000000
Total energy: -2907.696965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.696965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.696965 (E_RNA)
where:
Base-Base interactions energy: -1967.484
where: short stacking energy: -815.949
Base-Backbone interact. energy: -6.054
local terms energy: -934.158359
where:
bonds (distance) C4'-P energy: -159.353
bonds (distance) P-C4' energy: -184.382
flat angles C4'-P-C4' energy: -202.250
flat angles P-C4'-P energy: -123.428
tors. eta vs tors. theta energy: -264.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2702.377565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.377565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.377565 (E_RNA)
where:
Base-Base interactions energy: -1822.389
where: short stacking energy: -785.780
Base-Backbone interact. energy: -5.419
local terms energy: -874.569410
where:
bonds (distance) C4'-P energy: -178.686
bonds (distance) P-C4' energy: -161.647
flat angles C4'-P-C4' energy: -205.326
flat angles P-C4'-P energy: -111.851
tors. eta vs tors. theta energy: -217.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2463.180838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.180838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.180838 (E_RNA)
where:
Base-Base interactions energy: -1641.913
where: short stacking energy: -712.614
Base-Backbone interact. energy: -4.417
local terms energy: -816.850513
where:
bonds (distance) C4'-P energy: -147.315
bonds (distance) P-C4' energy: -170.061
flat angles C4'-P-C4' energy: -190.334
flat angles P-C4'-P energy: -110.533
tors. eta vs tors. theta energy: -198.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2188.210637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.210637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.210637 (E_RNA)
where:
Base-Base interactions energy: -1446.341
where: short stacking energy: -625.172
Base-Backbone interact. energy: 2.317
local terms energy: -744.187382
where:
bonds (distance) C4'-P energy: -162.997
bonds (distance) P-C4' energy: -160.916
flat angles C4'-P-C4' energy: -171.348
flat angles P-C4'-P energy: -102.060
tors. eta vs tors. theta energy: -146.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2161.035082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.035082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.035082 (E_RNA)
where:
Base-Base interactions energy: -1421.794
where: short stacking energy: -612.771
Base-Backbone interact. energy: 1.591
local terms energy: -740.831725
where:
bonds (distance) C4'-P energy: -137.229
bonds (distance) P-C4' energy: -166.735
flat angles C4'-P-C4' energy: -157.704
flat angles P-C4'-P energy: -113.740
tors. eta vs tors. theta energy: -165.424
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1505.351252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.351252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.351252 (E_RNA)
where:
Base-Base interactions energy: -935.406
where: short stacking energy: -434.837
Base-Backbone interact. energy: -1.357
local terms energy: -568.588169
where:
bonds (distance) C4'-P energy: -126.726
bonds (distance) P-C4' energy: -161.666
flat angles C4'-P-C4' energy: -129.492
flat angles P-C4'-P energy: -103.205
tors. eta vs tors. theta energy: -47.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1107.405734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.405734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.405734 (E_RNA)
where:
Base-Base interactions energy: -554.889
where: short stacking energy: -313.511
Base-Backbone interact. energy: 1.522
local terms energy: -554.038312
where:
bonds (distance) C4'-P energy: -152.008
bonds (distance) P-C4' energy: -185.922
flat angles C4'-P-C4' energy: -124.093
flat angles P-C4'-P energy: -85.286
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -913.074248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.074248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.074248 (E_RNA)
where:
Base-Base interactions energy: -443.564
where: short stacking energy: -281.242
Base-Backbone interact. energy: 4.693
local terms energy: -474.204135
where:
bonds (distance) C4'-P energy: -124.527
bonds (distance) P-C4' energy: -153.240
flat angles C4'-P-C4' energy: -101.632
flat angles P-C4'-P energy: -93.405
tors. eta vs tors. theta energy: -1.401
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -3162.402540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3162.402540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3162.402540 (E_RNA)
where:
Base-Base interactions energy: -2187.010
where: short stacking energy: -884.943
Base-Backbone interact. energy: 0.684
local terms energy: -976.076238
where:
bonds (distance) C4'-P energy: -169.197
bonds (distance) P-C4' energy: -187.605
flat angles C4'-P-C4' energy: -200.174
flat angles P-C4'-P energy: -150.411
tors. eta vs tors. theta energy: -268.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -3045.406199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.406199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.406199 (E_RNA)
where:
Base-Base interactions energy: -2111.898
where: short stacking energy: -905.323
Base-Backbone interact. energy: -8.221
local terms energy: -925.287198
where:
bonds (distance) C4'-P energy: -142.464
bonds (distance) P-C4' energy: -172.173
flat angles C4'-P-C4' energy: -214.023
flat angles P-C4'-P energy: -133.851
tors. eta vs tors. theta energy: -262.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2841.022753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.022753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.022753 (E_RNA)
where:
Base-Base interactions energy: -1984.754
where: short stacking energy: -823.118
Base-Backbone interact. energy: -2.550
local terms energy: -853.718674
where:
bonds (distance) C4'-P energy: -143.577
bonds (distance) P-C4' energy: -153.938
flat angles C4'-P-C4' energy: -195.111
flat angles P-C4'-P energy: -112.606
tors. eta vs tors. theta energy: -248.486
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: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2691.359819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.359819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.359819 (E_RNA)
where:
Base-Base interactions energy: -1781.215
where: short stacking energy: -790.146
Base-Backbone interact. energy: -1.227
local terms energy: -908.918022
where:
bonds (distance) C4'-P energy: -176.750
bonds (distance) P-C4' energy: -172.986
flat angles C4'-P-C4' energy: -199.448
flat angles P-C4'-P energy: -118.048
tors. eta vs tors. theta energy: -241.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2427.363831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.363831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.363831 (E_RNA)
where:
Base-Base interactions energy: -1627.040
where: short stacking energy: -702.259
Base-Backbone interact. energy: -1.431
local terms energy: -798.892256
where:
bonds (distance) C4'-P energy: -136.016
bonds (distance) P-C4' energy: -171.769
flat angles C4'-P-C4' energy: -186.931
flat angles P-C4'-P energy: -108.947
tors. eta vs tors. theta energy: -195.229
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: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2173.984086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.984086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.984086 (E_RNA)
where:
Base-Base interactions energy: -1437.615
where: short stacking energy: -613.708
Base-Backbone interact. energy: 0.643
local terms energy: -737.011960
where:
bonds (distance) C4'-P energy: -148.390
bonds (distance) P-C4' energy: -169.489
flat angles C4'-P-C4' energy: -160.207
flat angles P-C4'-P energy: -110.890
tors. eta vs tors. theta energy: -148.035
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: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2138.050699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.050699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.050699 (E_RNA)
where:
Base-Base interactions energy: -1381.637
where: short stacking energy: -631.450
Base-Backbone interact. energy: 0.005
local terms energy: -756.418753
where:
bonds (distance) C4'-P energy: -159.565
bonds (distance) P-C4' energy: -159.404
flat angles C4'-P-C4' energy: -163.237
flat angles P-C4'-P energy: -122.389
tors. eta vs tors. theta energy: -151.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1402.089942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.089942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.089942 (E_RNA)
where:
Base-Base interactions energy: -808.670
where: short stacking energy: -393.495
Base-Backbone interact. energy: 2.653
local terms energy: -596.072761
where:
bonds (distance) C4'-P energy: -156.894
bonds (distance) P-C4' energy: -175.044
flat angles C4'-P-C4' energy: -128.510
flat angles P-C4'-P energy: -85.759
tors. eta vs tors. theta energy: -49.866
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: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1038.620623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.620623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.620623 (E_RNA)
where:
Base-Base interactions energy: -520.415
where: short stacking energy: -296.701
Base-Backbone interact. energy: 3.800
local terms energy: -522.005873
where:
bonds (distance) C4'-P energy: -147.414
bonds (distance) P-C4' energy: -152.244
flat angles C4'-P-C4' energy: -156.727
flat angles P-C4'-P energy: -56.792
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -940.315427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.315427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.315427 (E_RNA)
where:
Base-Base interactions energy: -458.122
where: short stacking energy: -247.443
Base-Backbone interact. energy: 2.765
local terms energy: -484.958695
where:
bonds (distance) C4'-P energy: -149.774
bonds (distance) P-C4' energy: -149.882
flat angles C4'-P-C4' energy: -116.186
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: 24.952
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -3147.508328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3147.508328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3147.508328 (E_RNA)
where:
Base-Base interactions energy: -2189.593
where: short stacking energy: -860.634
Base-Backbone interact. energy: -4.673
local terms energy: -953.242371
where:
bonds (distance) C4'-P energy: -176.836
bonds (distance) P-C4' energy: -181.678
flat angles C4'-P-C4' energy: -199.201
flat angles P-C4'-P energy: -138.065
tors. eta vs tors. theta energy: -257.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -3061.154005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.154005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.154005 (E_RNA)
where:
Base-Base interactions energy: -2122.444
where: short stacking energy: -889.472
Base-Backbone interact. energy: -2.352
local terms energy: -936.357782
where:
bonds (distance) C4'-P energy: -177.576
bonds (distance) P-C4' energy: -171.893
flat angles C4'-P-C4' energy: -184.734
flat angles P-C4'-P energy: -129.843
tors. eta vs tors. theta energy: -272.312
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: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2817.381015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.381015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.381015 (E_RNA)
where:
Base-Base interactions energy: -1917.669
where: short stacking energy: -814.640
Base-Backbone interact. energy: -3.792
local terms energy: -895.919726
where:
bonds (distance) C4'-P energy: -164.152
bonds (distance) P-C4' energy: -174.556
flat angles C4'-P-C4' energy: -193.582
flat angles P-C4'-P energy: -122.026
tors. eta vs tors. theta energy: -241.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2692.841322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.841322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.841322 (E_RNA)
where:
Base-Base interactions energy: -1826.461
where: short stacking energy: -806.379
Base-Backbone interact. energy: -1.083
local terms energy: -865.297323
where:
bonds (distance) C4'-P energy: -153.174
bonds (distance) P-C4' energy: -165.871
flat angles C4'-P-C4' energy: -188.836
flat angles P-C4'-P energy: -119.832
tors. eta vs tors. theta energy: -237.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2482.669968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.669968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.669968 (E_RNA)
where:
Base-Base interactions energy: -1662.708
where: short stacking energy: -718.346
Base-Backbone interact. energy: 2.044
local terms energy: -822.005972
where:
bonds (distance) C4'-P energy: -182.340
bonds (distance) P-C4' energy: -160.314
flat angles C4'-P-C4' energy: -189.033
flat angles P-C4'-P energy: -99.493
tors. eta vs tors. theta energy: -190.825
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: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2237.629520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.629520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.629520 (E_RNA)
where:
Base-Base interactions energy: -1484.820
where: short stacking energy: -660.828
Base-Backbone interact. energy: 4.375
local terms energy: -757.185070
where:
bonds (distance) C4'-P energy: -137.104
bonds (distance) P-C4' energy: -161.144
flat angles C4'-P-C4' energy: -183.621
flat angles P-C4'-P energy: -112.454
tors. eta vs tors. theta energy: -162.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1991.419290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.419290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.419290 (E_RNA)
where:
Base-Base interactions energy: -1299.865
where: short stacking energy: -561.020
Base-Backbone interact. energy: 2.417
local terms energy: -693.971168
where:
bonds (distance) C4'-P energy: -131.157
bonds (distance) P-C4' energy: -184.309
flat angles C4'-P-C4' energy: -147.614
flat angles P-C4'-P energy: -112.648
tors. eta vs tors. theta energy: -118.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1487.397634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.397634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.397634 (E_RNA)
where:
Base-Base interactions energy: -899.444
where: short stacking energy: -441.262
Base-Backbone interact. energy: -0.826
local terms energy: -587.127137
where:
bonds (distance) C4'-P energy: -149.572
bonds (distance) P-C4' energy: -157.270
flat angles C4'-P-C4' energy: -143.914
flat angles P-C4'-P energy: -83.007
tors. eta vs tors. theta energy: -53.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1031.821598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.821598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.821598 (E_RNA)
where:
Base-Base interactions energy: -528.497
where: short stacking energy: -291.233
Base-Backbone interact. energy: -2.400
local terms energy: -500.923934
where:
bonds (distance) C4'-P energy: -117.719
bonds (distance) P-C4' energy: -168.139
flat angles C4'-P-C4' energy: -129.296
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -1.825
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: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -890.589039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.589039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.589039 (E_RNA)
where:
Base-Base interactions energy: -433.695
where: short stacking energy: -230.628
Base-Backbone interact. energy: 3.660
local terms energy: -460.554096
where:
bonds (distance) C4'-P energy: -132.438
bonds (distance) P-C4' energy: -136.615
flat angles C4'-P-C4' energy: -140.614
flat angles P-C4'-P energy: -77.272
tors. eta vs tors. theta energy: 26.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -3154.448674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3154.448674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3154.448674 (E_RNA)
where:
Base-Base interactions energy: -2205.557
where: short stacking energy: -889.925
Base-Backbone interact. energy: -2.079
local terms energy: -946.813322
where:
bonds (distance) C4'-P energy: -167.392
bonds (distance) P-C4' energy: -181.881
flat angles C4'-P-C4' energy: -199.133
flat angles P-C4'-P energy: -143.239
tors. eta vs tors. theta energy: -255.169
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: 410
Temperature: 0.950000
Total energy: -3042.838776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.838776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.838776 (E_RNA)
where:
Base-Base interactions energy: -2096.048
where: short stacking energy: -889.955
Base-Backbone interact. energy: -3.047
local terms energy: -943.743977
where:
bonds (distance) C4'-P energy: -172.579
bonds (distance) P-C4' energy: -174.550
flat angles C4'-P-C4' energy: -207.752
flat angles P-C4'-P energy: -125.168
tors. eta vs tors. theta energy: -263.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2827.434494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.434494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.434494 (E_RNA)
where:
Base-Base interactions energy: -1941.057
where: short stacking energy: -806.001
Base-Backbone interact. energy: -2.779
local terms energy: -883.598638
where:
bonds (distance) C4'-P energy: -154.630
bonds (distance) P-C4' energy: -184.539
flat angles C4'-P-C4' energy: -194.489
flat angles P-C4'-P energy: -122.899
tors. eta vs tors. theta energy: -227.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2687.059121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.059121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.059121 (E_RNA)
where:
Base-Base interactions energy: -1785.448
where: short stacking energy: -797.158
Base-Backbone interact. energy: -3.740
local terms energy: -897.871394
where:
bonds (distance) C4'-P energy: -164.770
bonds (distance) P-C4' energy: -171.696
flat angles C4'-P-C4' energy: -190.785
flat angles P-C4'-P energy: -129.923
tors. eta vs tors. theta energy: -240.698
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2476.722288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.722288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.722288 (E_RNA)
where:
Base-Base interactions energy: -1646.420
where: short stacking energy: -720.921
Base-Backbone interact. energy: -1.284
local terms energy: -829.018316
where:
bonds (distance) C4'-P energy: -160.703
bonds (distance) P-C4' energy: -175.207
flat angles C4'-P-C4' energy: -188.510
flat angles P-C4'-P energy: -90.248
tors. eta vs tors. theta energy: -214.350
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2209.309764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.309764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.309764 (E_RNA)
where:
Base-Base interactions energy: -1497.971
where: short stacking energy: -608.910
Base-Backbone interact. energy: 0.734
local terms energy: -712.073396
where:
bonds (distance) C4'-P energy: -150.423
bonds (distance) P-C4' energy: -155.509
flat angles C4'-P-C4' energy: -141.014
flat angles P-C4'-P energy: -110.957
tors. eta vs tors. theta energy: -154.171
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: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2002.401589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.401589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.401589 (E_RNA)
where:
Base-Base interactions energy: -1288.074
where: short stacking energy: -600.604
Base-Backbone interact. energy: -4.177
local terms energy: -710.150682
where:
bonds (distance) C4'-P energy: -147.309
bonds (distance) P-C4' energy: -156.705
flat angles C4'-P-C4' energy: -164.203
flat angles P-C4'-P energy: -101.392
tors. eta vs tors. theta energy: -140.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1544.030616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.030616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.030616 (E_RNA)
where:
Base-Base interactions energy: -955.514
where: short stacking energy: -454.089
Base-Backbone interact. energy: 2.096
local terms energy: -590.612496
where:
bonds (distance) C4'-P energy: -130.539
bonds (distance) P-C4' energy: -169.418
flat angles C4'-P-C4' energy: -139.552
flat angles P-C4'-P energy: -70.009
tors. eta vs tors. theta energy: -81.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1052.589456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.589456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.589456 (E_RNA)
where:
Base-Base interactions energy: -549.693
where: short stacking energy: -296.570
Base-Backbone interact. energy: 5.537
local terms energy: -508.433680
where:
bonds (distance) C4'-P energy: -148.225
bonds (distance) P-C4' energy: -154.734
flat angles C4'-P-C4' energy: -124.357
flat angles P-C4'-P energy: -77.797
tors. eta vs tors. theta energy: -3.321
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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -862.973001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.973001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.973001 (E_RNA)
where:
Base-Base interactions energy: -400.897
where: short stacking energy: -224.709
Base-Backbone interact. energy: -2.782
local terms energy: -459.294689
where:
bonds (distance) C4'-P energy: -148.188
bonds (distance) P-C4' energy: -146.092
flat angles C4'-P-C4' energy: -117.458
flat angles P-C4'-P energy: -85.058
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: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -3154.428229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3154.428229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3154.428229 (E_RNA)
where:
Base-Base interactions energy: -2171.413
where: short stacking energy: -865.892
Base-Backbone interact. energy: -1.554
local terms energy: -981.461186
where:
bonds (distance) C4'-P energy: -182.989
bonds (distance) P-C4' energy: -194.970
flat angles C4'-P-C4' energy: -216.425
flat angles P-C4'-P energy: -130.889
tors. eta vs tors. theta energy: -256.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -3080.697572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3080.697572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3080.697572 (E_RNA)
where:
Base-Base interactions energy: -2128.591
where: short stacking energy: -903.361
Base-Backbone interact. energy: -1.564
local terms energy: -950.542693
where:
bonds (distance) C4'-P energy: -174.909
bonds (distance) P-C4' energy: -159.095
flat angles C4'-P-C4' energy: -207.752
flat angles P-C4'-P energy: -127.776
tors. eta vs tors. theta energy: -281.010
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2821.108308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.108308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.108308 (E_RNA)
where:
Base-Base interactions energy: -1935.779
where: short stacking energy: -801.839
Base-Backbone interact. energy: -3.227
local terms energy: -882.102319
where:
bonds (distance) C4'-P energy: -165.369
bonds (distance) P-C4' energy: -162.917
flat angles C4'-P-C4' energy: -198.498
flat angles P-C4'-P energy: -122.090
tors. eta vs tors. theta energy: -233.228
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: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2681.449914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.449914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.449914 (E_RNA)
where:
Base-Base interactions energy: -1810.502
where: short stacking energy: -798.191
Base-Backbone interact. energy: -0.827
local terms energy: -870.121303
where:
bonds (distance) C4'-P energy: -177.562
bonds (distance) P-C4' energy: -141.748
flat angles C4'-P-C4' energy: -188.405
flat angles P-C4'-P energy: -114.368
tors. eta vs tors. theta energy: -248.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2494.774818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.774818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.774818 (E_RNA)
where:
Base-Base interactions energy: -1689.091
where: short stacking energy: -724.161
Base-Backbone interact. energy: -4.429
local terms energy: -801.254386
where:
bonds (distance) C4'-P energy: -143.381
bonds (distance) P-C4' energy: -160.195
flat angles C4'-P-C4' energy: -181.458
flat angles P-C4'-P energy: -111.524
tors. eta vs tors. theta energy: -204.696
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: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2250.071074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.071074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.071074 (E_RNA)
where:
Base-Base interactions energy: -1503.542
where: short stacking energy: -626.246
Base-Backbone interact. energy: -1.817
local terms energy: -744.711607
where:
bonds (distance) C4'-P energy: -153.003
bonds (distance) P-C4' energy: -163.804
flat angles C4'-P-C4' energy: -164.512
flat angles P-C4'-P energy: -107.769
tors. eta vs tors. theta energy: -155.624
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: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1953.432919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.432919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.432919 (E_RNA)
where:
Base-Base interactions energy: -1250.687
where: short stacking energy: -551.185
Base-Backbone interact. energy: -1.094
local terms energy: -701.651854
where:
bonds (distance) C4'-P energy: -155.776
bonds (distance) P-C4' energy: -154.837
flat angles C4'-P-C4' energy: -153.114
flat angles P-C4'-P energy: -114.517
tors. eta vs tors. theta energy: -123.408
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: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1525.081527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.081527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.081527 (E_RNA)
where:
Base-Base interactions energy: -929.906
where: short stacking energy: -427.093
Base-Backbone interact. energy: 3.305
local terms energy: -598.480510
where:
bonds (distance) C4'-P energy: -146.190
bonds (distance) P-C4' energy: -135.960
flat angles C4'-P-C4' energy: -136.274
flat angles P-C4'-P energy: -105.145
tors. eta vs tors. theta energy: -74.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1076.671968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.671968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.671968 (E_RNA)
where:
Base-Base interactions energy: -568.858
where: short stacking energy: -316.183
Base-Backbone interact. energy: -2.530
local terms energy: -505.283552
where:
bonds (distance) C4'-P energy: -150.261
bonds (distance) P-C4' energy: -132.445
flat angles C4'-P-C4' energy: -143.263
flat angles P-C4'-P energy: -71.417
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -808.524320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.524320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.524320 (E_RNA)
where:
Base-Base interactions energy: -346.342
where: short stacking energy: -202.542
Base-Backbone interact. energy: 3.674
local terms energy: -465.856316
where:
bonds (distance) C4'-P energy: -143.304
bonds (distance) P-C4' energy: -150.305
flat angles C4'-P-C4' energy: -112.613
flat angles P-C4'-P energy: -93.485
tors. eta vs tors. theta energy: 33.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -3156.687403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3156.687403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3156.687403 (E_RNA)
where:
Base-Base interactions energy: -2210.242
where: short stacking energy: -875.074
Base-Backbone interact. energy: -2.452
local terms energy: -943.993525
where:
bonds (distance) C4'-P energy: -176.298
bonds (distance) P-C4' energy: -177.438
flat angles C4'-P-C4' energy: -195.018
flat angles P-C4'-P energy: -142.377
tors. eta vs tors. theta energy: -252.863
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: 412
Temperature: 0.950000
Total energy: -3049.722646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.722646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.722646 (E_RNA)
where:
Base-Base interactions energy: -2070.297
where: short stacking energy: -878.562
Base-Backbone interact. energy: -3.693
local terms energy: -975.733224
where:
bonds (distance) C4'-P energy: -175.447
bonds (distance) P-C4' energy: -182.768
flat angles C4'-P-C4' energy: -205.606
flat angles P-C4'-P energy: -133.965
tors. eta vs tors. theta energy: -277.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2826.419467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.419467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.419467 (E_RNA)
where:
Base-Base interactions energy: -1902.604
where: short stacking energy: -875.311
Base-Backbone interact. energy: -2.256
local terms energy: -921.559046
where:
bonds (distance) C4'-P energy: -172.535
bonds (distance) P-C4' energy: -157.978
flat angles C4'-P-C4' energy: -203.863
flat angles P-C4'-P energy: -122.445
tors. eta vs tors. theta energy: -264.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2736.994641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.994641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.994641 (E_RNA)
where:
Base-Base interactions energy: -1884.354
where: short stacking energy: -759.780
Base-Backbone interact. energy: -3.044
local terms energy: -849.596176
where:
bonds (distance) C4'-P energy: -163.405
bonds (distance) P-C4' energy: -161.688
flat angles C4'-P-C4' energy: -186.150
flat angles P-C4'-P energy: -128.616
tors. eta vs tors. theta energy: -209.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2540.827355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.827355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.827355 (E_RNA)
where:
Base-Base interactions energy: -1715.494
where: short stacking energy: -722.279
Base-Backbone interact. energy: -4.058
local terms energy: -821.275260
where:
bonds (distance) C4'-P energy: -145.903
bonds (distance) P-C4' energy: -151.399
flat angles C4'-P-C4' energy: -193.746
flat angles P-C4'-P energy: -126.964
tors. eta vs tors. theta energy: -203.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2325.528041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.528041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.528041 (E_RNA)
where:
Base-Base interactions energy: -1563.558
where: short stacking energy: -674.776
Base-Backbone interact. energy: -5.157
local terms energy: -756.813343
where:
bonds (distance) C4'-P energy: -154.527
bonds (distance) P-C4' energy: -166.135
flat angles C4'-P-C4' energy: -153.620
flat angles P-C4'-P energy: -116.409
tors. eta vs tors. theta energy: -166.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2004.628034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.628034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.628034 (E_RNA)
where:
Base-Base interactions energy: -1340.060
where: short stacking energy: -561.032
Base-Backbone interact. energy: -4.945
local terms energy: -659.623717
where:
bonds (distance) C4'-P energy: -135.890
bonds (distance) P-C4' energy: -142.436
flat angles C4'-P-C4' energy: -155.857
flat angles P-C4'-P energy: -102.875
tors. eta vs tors. theta energy: -122.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1428.769612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.769612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.769612 (E_RNA)
where:
Base-Base interactions energy: -860.859
where: short stacking energy: -404.975
Base-Backbone interact. energy: -0.982
local terms energy: -566.928371
where:
bonds (distance) C4'-P energy: -133.596
bonds (distance) P-C4' energy: -149.212
flat angles C4'-P-C4' energy: -144.452
flat angles P-C4'-P energy: -88.355
tors. eta vs tors. theta energy: -51.314
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: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1038.516913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.516913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.516913 (E_RNA)
where:
Base-Base interactions energy: -529.644
where: short stacking energy: -275.244
Base-Backbone interact. energy: 4.419
local terms energy: -513.292535
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -181.178
flat angles C4'-P-C4' energy: -144.287
flat angles P-C4'-P energy: -77.959
tors. eta vs tors. theta energy: 22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -826.480045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.480045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.480045 (E_RNA)
where:
Base-Base interactions energy: -349.380
where: short stacking energy: -231.594
Base-Backbone interact. energy: 3.821
local terms energy: -480.920822
where:
bonds (distance) C4'-P energy: -123.946
bonds (distance) P-C4' energy: -151.498
flat angles C4'-P-C4' energy: -146.228
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: 22.661
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: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -3137.818887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3137.818887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3137.818887 (E_RNA)
where:
Base-Base interactions energy: -2193.641
where: short stacking energy: -866.480
Base-Backbone interact. energy: -5.370
local terms energy: -938.807892
where:
bonds (distance) C4'-P energy: -178.894
bonds (distance) P-C4' energy: -166.827
flat angles C4'-P-C4' energy: -210.280
flat angles P-C4'-P energy: -122.075
tors. eta vs tors. theta energy: -260.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -3061.016508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.016508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.016508 (E_RNA)
where:
Base-Base interactions energy: -2104.600
where: short stacking energy: -897.992
Base-Backbone interact. energy: -4.521
local terms energy: -951.895232
where:
bonds (distance) C4'-P energy: -176.354
bonds (distance) P-C4' energy: -182.861
flat angles C4'-P-C4' energy: -206.259
flat angles P-C4'-P energy: -118.824
tors. eta vs tors. theta energy: -267.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2804.888618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.888618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.888618 (E_RNA)
where:
Base-Base interactions energy: -1865.868
where: short stacking energy: -812.489
Base-Backbone interact. energy: -2.724
local terms energy: -936.295959
where:
bonds (distance) C4'-P energy: -172.934
bonds (distance) P-C4' energy: -193.286
flat angles C4'-P-C4' energy: -201.159
flat angles P-C4'-P energy: -118.053
tors. eta vs tors. theta energy: -250.864
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2744.465592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.465592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.465592 (E_RNA)
where:
Base-Base interactions energy: -1873.118
where: short stacking energy: -763.483
Base-Backbone interact. energy: 0.703
local terms energy: -872.050035
where:
bonds (distance) C4'-P energy: -150.906
bonds (distance) P-C4' energy: -170.726
flat angles C4'-P-C4' energy: -201.000
flat angles P-C4'-P energy: -118.078
tors. eta vs tors. theta energy: -231.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2569.178529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.178529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.178529 (E_RNA)
where:
Base-Base interactions energy: -1721.157
where: short stacking energy: -726.833
Base-Backbone interact. energy: -5.658
local terms energy: -842.362938
where:
bonds (distance) C4'-P energy: -165.562
bonds (distance) P-C4' energy: -168.805
flat angles C4'-P-C4' energy: -173.917
flat angles P-C4'-P energy: -129.339
tors. eta vs tors. theta energy: -204.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2371.104882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.104882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.104882 (E_RNA)
where:
Base-Base interactions energy: -1613.422
where: short stacking energy: -670.387
Base-Backbone interact. energy: -0.189
local terms energy: -757.493419
where:
bonds (distance) C4'-P energy: -160.938
bonds (distance) P-C4' energy: -157.183
flat angles C4'-P-C4' energy: -164.011
flat angles P-C4'-P energy: -105.134
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: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1999.494869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.494869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.494869 (E_RNA)
where:
Base-Base interactions energy: -1330.365
where: short stacking energy: -588.897
Base-Backbone interact. energy: 1.047
local terms energy: -670.176589
where:
bonds (distance) C4'-P energy: -138.278
bonds (distance) P-C4' energy: -157.392
flat angles C4'-P-C4' energy: -160.011
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -137.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1506.727086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.727086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.727086 (E_RNA)
where:
Base-Base interactions energy: -910.451
where: short stacking energy: -449.124
Base-Backbone interact. energy: 5.812
local terms energy: -602.087817
where:
bonds (distance) C4'-P energy: -122.456
bonds (distance) P-C4' energy: -155.279
flat angles C4'-P-C4' energy: -147.930
flat angles P-C4'-P energy: -93.406
tors. eta vs tors. theta energy: -83.018
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: 413
Temperature: 1.300000
Total energy: -1070.705663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.705663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.705663 (E_RNA)
where:
Base-Base interactions energy: -596.455
where: short stacking energy: -314.298
Base-Backbone interact. energy: 6.575
local terms energy: -480.825705
where:
bonds (distance) C4'-P energy: -128.914
bonds (distance) P-C4' energy: -144.559
flat angles C4'-P-C4' energy: -121.413
flat angles P-C4'-P energy: -80.375
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -842.954610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.954610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.954610 (E_RNA)
where:
Base-Base interactions energy: -419.302
where: short stacking energy: -248.301
Base-Backbone interact. energy: 1.114
local terms energy: -424.766800
where:
bonds (distance) C4'-P energy: -126.817
bonds (distance) P-C4' energy: -147.751
flat angles C4'-P-C4' energy: -110.565
flat angles P-C4'-P energy: -58.252
tors. eta vs tors. theta energy: 18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -3122.632814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3122.632814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3122.632814 (E_RNA)
where:
Base-Base interactions energy: -2152.984
where: short stacking energy: -897.766
Base-Backbone interact. energy: -7.076
local terms energy: -962.573434
where:
bonds (distance) C4'-P energy: -178.525
bonds (distance) P-C4' energy: -185.916
flat angles C4'-P-C4' energy: -204.856
flat angles P-C4'-P energy: -140.146
tors. eta vs tors. theta energy: -253.130
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: 414
Temperature: 0.950000
Total energy: -3053.001899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.001899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.001899 (E_RNA)
where:
Base-Base interactions energy: -2115.729
where: short stacking energy: -890.338
Base-Backbone interact. energy: -2.767
local terms energy: -934.505814
where:
bonds (distance) C4'-P energy: -166.311
bonds (distance) P-C4' energy: -155.803
flat angles C4'-P-C4' energy: -203.759
flat angles P-C4'-P energy: -121.749
tors. eta vs tors. theta energy: -286.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2812.328038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.328038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.328038 (E_RNA)
where:
Base-Base interactions energy: -1907.039
where: short stacking energy: -853.948
Base-Backbone interact. energy: -3.778
local terms energy: -901.511099
where:
bonds (distance) C4'-P energy: -167.711
bonds (distance) P-C4' energy: -157.407
flat angles C4'-P-C4' energy: -193.005
flat angles P-C4'-P energy: -132.099
tors. eta vs tors. theta energy: -251.289
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: 414
Temperature: 1.050000
Total energy: -2694.945356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.945356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.945356 (E_RNA)
where:
Base-Base interactions energy: -1839.436
where: short stacking energy: -773.172
Base-Backbone interact. energy: 0.552
local terms energy: -856.061583
where:
bonds (distance) C4'-P energy: -160.691
bonds (distance) P-C4' energy: -166.909
flat angles C4'-P-C4' energy: -191.473
flat angles P-C4'-P energy: -106.430
tors. eta vs tors. theta energy: -230.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2552.019668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.019668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.019668 (E_RNA)
where:
Base-Base interactions energy: -1726.412
where: short stacking energy: -730.716
Base-Backbone interact. energy: -1.827
local terms energy: -823.780740
where:
bonds (distance) C4'-P energy: -169.090
bonds (distance) P-C4' energy: -156.221
flat angles C4'-P-C4' energy: -189.653
flat angles P-C4'-P energy: -108.097
tors. eta vs tors. theta energy: -200.720
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: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2390.617859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.617859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.617859 (E_RNA)
where:
Base-Base interactions energy: -1625.588
where: short stacking energy: -684.025
Base-Backbone interact. energy: 4.288
local terms energy: -769.317448
where:
bonds (distance) C4'-P energy: -139.216
bonds (distance) P-C4' energy: -148.904
flat angles C4'-P-C4' energy: -184.329
flat angles P-C4'-P energy: -112.685
tors. eta vs tors. theta energy: -184.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2044.153037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.153037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.153037 (E_RNA)
where:
Base-Base interactions energy: -1351.234
where: short stacking energy: -589.336
Base-Backbone interact. energy: 7.633
local terms energy: -700.551404
where:
bonds (distance) C4'-P energy: -151.941
bonds (distance) P-C4' energy: -150.976
flat angles C4'-P-C4' energy: -149.833
flat angles P-C4'-P energy: -110.909
tors. eta vs tors. theta energy: -136.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1464.798595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.798595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.798595 (E_RNA)
where:
Base-Base interactions energy: -885.957
where: short stacking energy: -450.877
Base-Backbone interact. energy: -0.868
local terms energy: -577.973803
where:
bonds (distance) C4'-P energy: -127.299
bonds (distance) P-C4' energy: -145.984
flat angles C4'-P-C4' energy: -158.615
flat angles P-C4'-P energy: -85.002
tors. eta vs tors. theta energy: -61.073
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: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1107.110237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.110237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.110237 (E_RNA)
where:
Base-Base interactions energy: -617.435
where: short stacking energy: -330.024
Base-Backbone interact. energy: 0.774
local terms energy: -490.448883
where:
bonds (distance) C4'-P energy: -144.556
bonds (distance) P-C4' energy: -161.969
flat angles C4'-P-C4' energy: -128.197
flat angles P-C4'-P energy: -28.033
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: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -828.147138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.147138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.147138 (E_RNA)
where:
Base-Base interactions energy: -369.254
where: short stacking energy: -232.269
Base-Backbone interact. energy: 1.045
local terms energy: -459.937818
where:
bonds (distance) C4'-P energy: -140.078
bonds (distance) P-C4' energy: -158.073
flat angles C4'-P-C4' energy: -126.433
flat angles P-C4'-P energy: -64.607
tors. eta vs tors. theta energy: 29.254
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: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -3118.473623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3118.473623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3118.473623 (E_RNA)
where:
Base-Base interactions energy: -2176.775
where: short stacking energy: -854.334
Base-Backbone interact. energy: 0.185
local terms energy: -941.884218
where:
bonds (distance) C4'-P energy: -165.546
bonds (distance) P-C4' energy: -185.153
flat angles C4'-P-C4' energy: -206.902
flat angles P-C4'-P energy: -128.456
tors. eta vs tors. theta energy: -255.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -3028.402590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.402590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.402590 (E_RNA)
where:
Base-Base interactions energy: -2051.272
where: short stacking energy: -878.905
Base-Backbone interact. energy: -0.028
local terms energy: -977.102633
where:
bonds (distance) C4'-P energy: -180.990
bonds (distance) P-C4' energy: -181.621
flat angles C4'-P-C4' energy: -194.737
flat angles P-C4'-P energy: -139.230
tors. eta vs tors. theta energy: -280.525
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: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2768.675221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.675221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.675221 (E_RNA)
where:
Base-Base interactions energy: -1834.913
where: short stacking energy: -810.630
Base-Backbone interact. energy: -5.457
local terms energy: -928.305233
where:
bonds (distance) C4'-P energy: -166.855
bonds (distance) P-C4' energy: -191.092
flat angles C4'-P-C4' energy: -199.055
flat angles P-C4'-P energy: -126.535
tors. eta vs tors. theta energy: -244.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2720.128015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.128015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.128015 (E_RNA)
where:
Base-Base interactions energy: -1844.537
where: short stacking energy: -773.353
Base-Backbone interact. energy: -0.170
local terms energy: -875.420158
where:
bonds (distance) C4'-P energy: -150.799
bonds (distance) P-C4' energy: -191.414
flat angles C4'-P-C4' energy: -199.218
flat angles P-C4'-P energy: -101.349
tors. eta vs tors. theta energy: -232.640
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: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2476.150595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.150595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.150595 (E_RNA)
where:
Base-Base interactions energy: -1660.433
where: short stacking energy: -704.409
Base-Backbone interact. energy: -5.655
local terms energy: -810.062499
where:
bonds (distance) C4'-P energy: -165.330
bonds (distance) P-C4' energy: -147.926
flat angles C4'-P-C4' energy: -178.312
flat angles P-C4'-P energy: -134.238
tors. eta vs tors. theta energy: -184.257
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: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2398.302562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.302562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.302562 (E_RNA)
where:
Base-Base interactions energy: -1624.460
where: short stacking energy: -681.015
Base-Backbone interact. energy: -2.864
local terms energy: -770.978127
where:
bonds (distance) C4'-P energy: -159.263
bonds (distance) P-C4' energy: -151.503
flat angles C4'-P-C4' energy: -157.279
flat angles P-C4'-P energy: -111.509
tors. eta vs tors. theta energy: -191.423
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: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2011.464314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.464314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.464314 (E_RNA)
where:
Base-Base interactions energy: -1342.496
where: short stacking energy: -604.195
Base-Backbone interact. energy: 5.525
local terms energy: -674.493279
where:
bonds (distance) C4'-P energy: -162.036
bonds (distance) P-C4' energy: -153.432
flat angles C4'-P-C4' energy: -151.554
flat angles P-C4'-P energy: -78.983
tors. eta vs tors. theta energy: -128.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1453.871696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.871696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.871696 (E_RNA)
where:
Base-Base interactions energy: -853.972
where: short stacking energy: -431.391
Base-Backbone interact. energy: -1.279
local terms energy: -598.620465
where:
bonds (distance) C4'-P energy: -154.279
bonds (distance) P-C4' energy: -155.055
flat angles C4'-P-C4' energy: -156.449
flat angles P-C4'-P energy: -77.775
tors. eta vs tors. theta energy: -55.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1153.277328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.277328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.277328 (E_RNA)
where:
Base-Base interactions energy: -612.470
where: short stacking energy: -318.518
Base-Backbone interact. energy: -0.204
local terms energy: -540.603166
where:
bonds (distance) C4'-P energy: -143.005
bonds (distance) P-C4' energy: -157.918
flat angles C4'-P-C4' energy: -147.075
flat angles P-C4'-P energy: -66.692
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -726.165341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.165341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.165341 (E_RNA)
where:
Base-Base interactions energy: -285.338
where: short stacking energy: -210.930
Base-Backbone interact. energy: -1.552
local terms energy: -439.274881
where:
bonds (distance) C4'-P energy: -136.481
bonds (distance) P-C4' energy: -126.383
flat angles C4'-P-C4' energy: -136.118
flat angles P-C4'-P energy: -76.485
tors. eta vs tors. theta energy: 36.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -3128.513952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3128.513952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3128.513952 (E_RNA)
where:
Base-Base interactions energy: -2190.789
where: short stacking energy: -864.590
Base-Backbone interact. energy: -3.639
local terms energy: -934.085814
where:
bonds (distance) C4'-P energy: -169.195
bonds (distance) P-C4' energy: -183.242
flat angles C4'-P-C4' energy: -194.910
flat angles P-C4'-P energy: -135.980
tors. eta vs tors. theta energy: -250.759
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: 416
Temperature: 0.950000
Total energy: -2995.788502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.788502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.788502 (E_RNA)
where:
Base-Base interactions energy: -2056.581
where: short stacking energy: -863.650
Base-Backbone interact. energy: -1.690
local terms energy: -937.518268
where:
bonds (distance) C4'-P energy: -160.543
bonds (distance) P-C4' energy: -180.916
flat angles C4'-P-C4' energy: -196.554
flat angles P-C4'-P energy: -121.626
tors. eta vs tors. theta energy: -277.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2748.305099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.305099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.305099 (E_RNA)
where:
Base-Base interactions energy: -1878.510
where: short stacking energy: -769.156
Base-Backbone interact. energy: -0.762
local terms energy: -869.033386
where:
bonds (distance) C4'-P energy: -165.568
bonds (distance) P-C4' energy: -172.841
flat angles C4'-P-C4' energy: -168.475
flat angles P-C4'-P energy: -124.467
tors. eta vs tors. theta energy: -237.683
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2706.149758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.149758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.149758 (E_RNA)
where:
Base-Base interactions energy: -1798.060
where: short stacking energy: -796.323
Base-Backbone interact. energy: -3.732
local terms energy: -904.357765
where:
bonds (distance) C4'-P energy: -171.846
bonds (distance) P-C4' energy: -162.905
flat angles C4'-P-C4' energy: -190.339
flat angles P-C4'-P energy: -122.773
tors. eta vs tors. theta energy: -256.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2470.930279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.930279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.930279 (E_RNA)
where:
Base-Base interactions energy: -1679.226
where: short stacking energy: -723.934
Base-Backbone interact. energy: -1.640
local terms energy: -790.063985
where:
bonds (distance) C4'-P energy: -137.567
bonds (distance) P-C4' energy: -169.413
flat angles C4'-P-C4' energy: -180.159
flat angles P-C4'-P energy: -104.789
tors. eta vs tors. theta energy: -198.136
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2277.165813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.165813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.165813 (E_RNA)
where:
Base-Base interactions energy: -1542.841
where: short stacking energy: -628.047
Base-Backbone interact. energy: -5.515
local terms energy: -728.810456
where:
bonds (distance) C4'-P energy: -149.716
bonds (distance) P-C4' energy: -166.578
flat angles C4'-P-C4' energy: -170.265
flat angles P-C4'-P energy: -94.942
tors. eta vs tors. theta energy: -147.310
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: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2018.868147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.868147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.868147 (E_RNA)
where:
Base-Base interactions energy: -1283.174
where: short stacking energy: -567.464
Base-Backbone interact. energy: -2.940
local terms energy: -732.754173
where:
bonds (distance) C4'-P energy: -157.354
bonds (distance) P-C4' energy: -149.383
flat angles C4'-P-C4' energy: -177.751
flat angles P-C4'-P energy: -106.564
tors. eta vs tors. theta energy: -141.702
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: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1526.013361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.013361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.013361 (E_RNA)
where:
Base-Base interactions energy: -915.665
where: short stacking energy: -427.455
Base-Backbone interact. energy: 2.467
local terms energy: -612.815647
where:
bonds (distance) C4'-P energy: -156.101
bonds (distance) P-C4' energy: -158.553
flat angles C4'-P-C4' energy: -139.482
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -70.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1135.886805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.886805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.886805 (E_RNA)
where:
Base-Base interactions energy: -583.670
where: short stacking energy: -328.569
Base-Backbone interact. energy: 2.859
local terms energy: -555.075787
where:
bonds (distance) C4'-P energy: -122.002
bonds (distance) P-C4' energy: -163.738
flat angles C4'-P-C4' energy: -156.065
flat angles P-C4'-P energy: -87.444
tors. eta vs tors. theta energy: -25.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -825.339299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.339299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.339299 (E_RNA)
where:
Base-Base interactions energy: -376.088
where: short stacking energy: -234.803
Base-Backbone interact. energy: 1.475
local terms energy: -450.725903
where:
bonds (distance) C4'-P energy: -145.632
bonds (distance) P-C4' energy: -137.819
flat angles C4'-P-C4' energy: -120.677
flat angles P-C4'-P energy: -51.019
tors. eta vs tors. theta energy: 4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -3103.597637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3103.597637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3103.597637 (E_RNA)
where:
Base-Base interactions energy: -2163.755
where: short stacking energy: -876.500
Base-Backbone interact. energy: 0.432
local terms energy: -940.274709
where:
bonds (distance) C4'-P energy: -179.931
bonds (distance) P-C4' energy: -176.765
flat angles C4'-P-C4' energy: -206.827
flat angles P-C4'-P energy: -135.954
tors. eta vs tors. theta energy: -240.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -3042.094090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.094090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.094090 (E_RNA)
where:
Base-Base interactions energy: -2102.298
where: short stacking energy: -895.402
Base-Backbone interact. energy: -3.246
local terms energy: -936.550449
where:
bonds (distance) C4'-P energy: -161.014
bonds (distance) P-C4' energy: -169.781
flat angles C4'-P-C4' energy: -199.181
flat angles P-C4'-P energy: -113.036
tors. eta vs tors. theta energy: -293.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2796.382332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.382332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.382332 (E_RNA)
where:
Base-Base interactions energy: -1935.057
where: short stacking energy: -804.011
Base-Backbone interact. energy: -3.400
local terms energy: -857.925164
where:
bonds (distance) C4'-P energy: -138.167
bonds (distance) P-C4' energy: -154.611
flat angles C4'-P-C4' energy: -196.738
flat angles P-C4'-P energy: -130.270
tors. eta vs tors. theta energy: -238.139
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2680.892662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.892662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.892662 (E_RNA)
where:
Base-Base interactions energy: -1809.762
where: short stacking energy: -810.986
Base-Backbone interact. energy: -5.235
local terms energy: -865.894848
where:
bonds (distance) C4'-P energy: -165.422
bonds (distance) P-C4' energy: -143.443
flat angles C4'-P-C4' energy: -183.506
flat angles P-C4'-P energy: -130.731
tors. eta vs tors. theta energy: -242.794
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: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2488.695979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.695979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.695979 (E_RNA)
where:
Base-Base interactions energy: -1669.966
where: short stacking energy: -712.229
Base-Backbone interact. energy: 0.343
local terms energy: -819.073161
where:
bonds (distance) C4'-P energy: -168.242
bonds (distance) P-C4' energy: -155.354
flat angles C4'-P-C4' energy: -189.645
flat angles P-C4'-P energy: -118.049
tors. eta vs tors. theta energy: -187.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2328.226273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.226273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.226273 (E_RNA)
where:
Base-Base interactions energy: -1561.524
where: short stacking energy: -652.329
Base-Backbone interact. energy: -3.190
local terms energy: -763.512377
where:
bonds (distance) C4'-P energy: -155.506
bonds (distance) P-C4' energy: -144.483
flat angles C4'-P-C4' energy: -178.697
flat angles P-C4'-P energy: -115.880
tors. eta vs tors. theta energy: -168.947
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: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2037.658911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.658911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.658911 (E_RNA)
where:
Base-Base interactions energy: -1297.963
where: short stacking energy: -573.886
Base-Backbone interact. energy: -3.619
local terms energy: -736.076789
where:
bonds (distance) C4'-P energy: -166.106
bonds (distance) P-C4' energy: -169.979
flat angles C4'-P-C4' energy: -160.686
flat angles P-C4'-P energy: -102.037
tors. eta vs tors. theta energy: -137.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1483.852823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.852823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.852823 (E_RNA)
where:
Base-Base interactions energy: -873.248
where: short stacking energy: -454.924
Base-Backbone interact. energy: 1.040
local terms energy: -611.644658
where:
bonds (distance) C4'-P energy: -146.620
bonds (distance) P-C4' energy: -163.939
flat angles C4'-P-C4' energy: -129.397
flat angles P-C4'-P energy: -84.232
tors. eta vs tors. theta energy: -87.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1143.957532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.957532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.957532 (E_RNA)
where:
Base-Base interactions energy: -568.869
where: short stacking energy: -311.778
Base-Backbone interact. energy: 2.496
local terms energy: -577.584077
where:
bonds (distance) C4'-P energy: -150.575
bonds (distance) P-C4' energy: -163.058
flat angles C4'-P-C4' energy: -156.152
flat angles P-C4'-P energy: -87.767
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -808.618275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.618275 (E_RNA)
where:
Base-Base interactions energy: -372.259
where: short stacking energy: -236.469
Base-Backbone interact. energy: -2.217
local terms energy: -434.141650
where:
bonds (distance) C4'-P energy: -121.822
bonds (distance) P-C4' energy: -143.442
flat angles C4'-P-C4' energy: -103.204
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: 10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -3101.506942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3101.506942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3101.506942 (E_RNA)
where:
Base-Base interactions energy: -2134.370
where: short stacking energy: -901.617
Base-Backbone interact. energy: -2.887
local terms energy: -964.250029
where:
bonds (distance) C4'-P energy: -178.372
bonds (distance) P-C4' energy: -180.441
flat angles C4'-P-C4' energy: -191.363
flat angles P-C4'-P energy: -134.792
tors. eta vs tors. theta energy: -279.281
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: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -3048.975663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3048.975663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3048.975663 (E_RNA)
where:
Base-Base interactions energy: -2103.724
where: short stacking energy: -838.189
Base-Backbone interact. energy: -3.674
local terms energy: -941.578058
where:
bonds (distance) C4'-P energy: -179.673
bonds (distance) P-C4' energy: -182.343
flat angles C4'-P-C4' energy: -201.002
flat angles P-C4'-P energy: -136.384
tors. eta vs tors. theta energy: -242.176
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: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2826.110012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.110012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.110012 (E_RNA)
where:
Base-Base interactions energy: -1924.344
where: short stacking energy: -826.797
Base-Backbone interact. energy: 1.382
local terms energy: -903.148004
where:
bonds (distance) C4'-P energy: -173.818
bonds (distance) P-C4' energy: -181.684
flat angles C4'-P-C4' energy: -183.978
flat angles P-C4'-P energy: -122.603
tors. eta vs tors. theta energy: -241.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2667.355530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.355530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.355530 (E_RNA)
where:
Base-Base interactions energy: -1795.829
where: short stacking energy: -774.297
Base-Backbone interact. energy: -5.105
local terms energy: -866.421267
where:
bonds (distance) C4'-P energy: -144.861
bonds (distance) P-C4' energy: -155.992
flat angles C4'-P-C4' energy: -195.308
flat angles P-C4'-P energy: -134.995
tors. eta vs tors. theta energy: -235.266
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: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2454.744882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.744882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.744882 (E_RNA)
where:
Base-Base interactions energy: -1655.152
where: short stacking energy: -712.292
Base-Backbone interact. energy: 4.364
local terms energy: -803.957268
where:
bonds (distance) C4'-P energy: -162.263
bonds (distance) P-C4' energy: -182.239
flat angles C4'-P-C4' energy: -176.690
flat angles P-C4'-P energy: -105.001
tors. eta vs tors. theta energy: -177.765
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2304.461419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.461419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.461419 (E_RNA)
where:
Base-Base interactions energy: -1559.372
where: short stacking energy: -643.483
Base-Backbone interact. energy: 1.089
local terms energy: -746.178339
where:
bonds (distance) C4'-P energy: -136.081
bonds (distance) P-C4' energy: -169.734
flat angles C4'-P-C4' energy: -174.106
flat angles P-C4'-P energy: -97.837
tors. eta vs tors. theta energy: -168.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1975.945719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.945719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.945719 (E_RNA)
where:
Base-Base interactions energy: -1278.221
where: short stacking energy: -548.300
Base-Backbone interact. energy: -3.240
local terms energy: -694.484448
where:
bonds (distance) C4'-P energy: -156.818
bonds (distance) P-C4' energy: -159.299
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -99.365
tors. eta vs tors. theta energy: -128.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1433.691115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.691115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.691115 (E_RNA)
where:
Base-Base interactions energy: -848.410
where: short stacking energy: -414.180
Base-Backbone interact. energy: -1.244
local terms energy: -584.037101
where:
bonds (distance) C4'-P energy: -150.923
bonds (distance) P-C4' energy: -153.384
flat angles C4'-P-C4' energy: -128.981
flat angles P-C4'-P energy: -94.587
tors. eta vs tors. theta energy: -56.162
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: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1168.116076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.116076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.116076 (E_RNA)
where:
Base-Base interactions energy: -650.387
where: short stacking energy: -360.561
Base-Backbone interact. energy: -1.658
local terms energy: -516.070998
where:
bonds (distance) C4'-P energy: -142.692
bonds (distance) P-C4' energy: -142.678
flat angles C4'-P-C4' energy: -136.469
flat angles P-C4'-P energy: -61.875
tors. eta vs tors. theta energy: -32.357
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: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -807.820535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.820535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.820535 (E_RNA)
where:
Base-Base interactions energy: -385.564
where: short stacking energy: -222.110
Base-Backbone interact. energy: 0.328
local terms energy: -422.584249
where:
bonds (distance) C4'-P energy: -131.296
bonds (distance) P-C4' energy: -153.670
flat angles C4'-P-C4' energy: -99.242
flat angles P-C4'-P energy: -74.025
tors. eta vs tors. theta energy: 35.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -3131.678817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3131.678817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3131.678817 (E_RNA)
where:
Base-Base interactions energy: -2127.323
where: short stacking energy: -905.576
Base-Backbone interact. energy: -4.582
local terms energy: -999.773266
where:
bonds (distance) C4'-P energy: -175.128
bonds (distance) P-C4' energy: -185.321
flat angles C4'-P-C4' energy: -207.027
flat angles P-C4'-P energy: -136.894
tors. eta vs tors. theta energy: -295.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -3018.056470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3018.056470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.056470 (E_RNA)
where:
Base-Base interactions energy: -2073.701
where: short stacking energy: -829.645
Base-Backbone interact. energy: -7.015
local terms energy: -937.340519
where:
bonds (distance) C4'-P energy: -187.902
bonds (distance) P-C4' energy: -175.470
flat angles C4'-P-C4' energy: -210.439
flat angles P-C4'-P energy: -128.506
tors. eta vs tors. theta energy: -235.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2793.225198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.225198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.225198 (E_RNA)
where:
Base-Base interactions energy: -1896.952
where: short stacking energy: -778.977
Base-Backbone interact. energy: -4.071
local terms energy: -892.202638
where:
bonds (distance) C4'-P energy: -167.844
bonds (distance) P-C4' energy: -165.667
flat angles C4'-P-C4' energy: -201.353
flat angles P-C4'-P energy: -129.655
tors. eta vs tors. theta energy: -227.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2707.766733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.766733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.766733 (E_RNA)
where:
Base-Base interactions energy: -1827.129
where: short stacking energy: -796.962
Base-Backbone interact. energy: -1.900
local terms energy: -878.737791
where:
bonds (distance) C4'-P energy: -161.554
bonds (distance) P-C4' energy: -183.652
flat angles C4'-P-C4' energy: -182.072
flat angles P-C4'-P energy: -118.086
tors. eta vs tors. theta energy: -233.374
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: 419
Temperature: 1.100000
Total energy: -2477.527902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.527902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.527902 (E_RNA)
where:
Base-Base interactions energy: -1635.376
where: short stacking energy: -725.434
Base-Backbone interact. energy: 1.583
local terms energy: -843.734933
where:
bonds (distance) C4'-P energy: -156.244
bonds (distance) P-C4' energy: -165.833
flat angles C4'-P-C4' energy: -182.844
flat angles P-C4'-P energy: -114.787
tors. eta vs tors. theta energy: -224.027
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2337.552431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.552431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.552431 (E_RNA)
where:
Base-Base interactions energy: -1568.996
where: short stacking energy: -657.144
Base-Backbone interact. energy: -2.424
local terms energy: -766.132323
where:
bonds (distance) C4'-P energy: -164.771
bonds (distance) P-C4' energy: -167.666
flat angles C4'-P-C4' energy: -165.382
flat angles P-C4'-P energy: -114.668
tors. eta vs tors. theta energy: -153.646
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: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1857.259202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.259202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.259202 (E_RNA)
where:
Base-Base interactions energy: -1171.585
where: short stacking energy: -514.010
Base-Backbone interact. energy: 2.431
local terms energy: -688.104662
where:
bonds (distance) C4'-P energy: -142.838
bonds (distance) P-C4' energy: -170.254
flat angles C4'-P-C4' energy: -159.534
flat angles P-C4'-P energy: -103.140
tors. eta vs tors. theta energy: -112.339
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: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1507.764827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.764827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.764827 (E_RNA)
where:
Base-Base interactions energy: -942.215
where: short stacking energy: -443.231
Base-Backbone interact. energy: -1.879
local terms energy: -563.671371
where:
bonds (distance) C4'-P energy: -148.309
bonds (distance) P-C4' energy: -139.196
flat angles C4'-P-C4' energy: -136.635
flat angles P-C4'-P energy: -92.936
tors. eta vs tors. theta energy: -46.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1117.713949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.713949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.713949 (E_RNA)
where:
Base-Base interactions energy: -595.495
where: short stacking energy: -315.110
Base-Backbone interact. energy: 11.006
local terms energy: -533.225509
where:
bonds (distance) C4'-P energy: -136.182
bonds (distance) P-C4' energy: -153.668
flat angles C4'-P-C4' energy: -136.818
flat angles P-C4'-P energy: -90.649
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -771.445920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.445920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.445920 (E_RNA)
where:
Base-Base interactions energy: -311.665
where: short stacking energy: -228.200
Base-Backbone interact. energy: -4.665
local terms energy: -455.116669
where:
bonds (distance) C4'-P energy: -160.829
bonds (distance) P-C4' energy: -163.139
flat angles C4'-P-C4' energy: -110.606
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: 24.811
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: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -3112.024077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3112.024077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3112.024077 (E_RNA)
where:
Base-Base interactions energy: -2115.472
where: short stacking energy: -938.450
Base-Backbone interact. energy: -5.733
local terms energy: -990.819579
where:
bonds (distance) C4'-P energy: -163.312
bonds (distance) P-C4' energy: -176.572
flat angles C4'-P-C4' energy: -207.484
flat angles P-C4'-P energy: -149.284
tors. eta vs tors. theta energy: -294.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -3039.148003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3039.148003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3039.148003 (E_RNA)
where:
Base-Base interactions energy: -2083.283
where: short stacking energy: -836.876
Base-Backbone interact. energy: -8.337
local terms energy: -947.527550
where:
bonds (distance) C4'-P energy: -176.004
bonds (distance) P-C4' energy: -171.808
flat angles C4'-P-C4' energy: -218.294
flat angles P-C4'-P energy: -128.672
tors. eta vs tors. theta energy: -252.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2831.526562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.526562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.526562 (E_RNA)
where:
Base-Base interactions energy: -1955.172
where: short stacking energy: -780.360
Base-Backbone interact. energy: -2.006
local terms energy: -874.348024
where:
bonds (distance) C4'-P energy: -162.713
bonds (distance) P-C4' energy: -165.542
flat angles C4'-P-C4' energy: -205.910
flat angles P-C4'-P energy: -108.710
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2694.501058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.501058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.501058 (E_RNA)
where:
Base-Base interactions energy: -1796.793
where: short stacking energy: -779.322
Base-Backbone interact. energy: -2.727
local terms energy: -894.982001
where:
bonds (distance) C4'-P energy: -145.072
bonds (distance) P-C4' energy: -179.728
flat angles C4'-P-C4' energy: -188.331
flat angles P-C4'-P energy: -141.855
tors. eta vs tors. theta energy: -239.996
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: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2430.592886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.592886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.592886 (E_RNA)
where:
Base-Base interactions energy: -1642.690
where: short stacking energy: -721.637
Base-Backbone interact. energy: -3.175
local terms energy: -784.728528
where:
bonds (distance) C4'-P energy: -160.268
bonds (distance) P-C4' energy: -150.822
flat angles C4'-P-C4' energy: -169.761
flat angles P-C4'-P energy: -110.745
tors. eta vs tors. theta energy: -193.132
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: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2327.264723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.264723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.264723 (E_RNA)
where:
Base-Base interactions energy: -1558.940
where: short stacking energy: -638.159
Base-Backbone interact. energy: 3.629
local terms energy: -771.953469
where:
bonds (distance) C4'-P energy: -169.866
bonds (distance) P-C4' energy: -136.720
flat angles C4'-P-C4' energy: -179.245
flat angles P-C4'-P energy: -114.966
tors. eta vs tors. theta energy: -171.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1860.356674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.356674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.356674 (E_RNA)
where:
Base-Base interactions energy: -1174.954
where: short stacking energy: -529.107
Base-Backbone interact. energy: -3.695
local terms energy: -681.707673
where:
bonds (distance) C4'-P energy: -152.717
bonds (distance) P-C4' energy: -152.913
flat angles C4'-P-C4' energy: -140.509
flat angles P-C4'-P energy: -112.355
tors. eta vs tors. theta energy: -123.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1427.571047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.571047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.571047 (E_RNA)
where:
Base-Base interactions energy: -821.706
where: short stacking energy: -423.507
Base-Backbone interact. energy: -2.907
local terms energy: -602.958524
where:
bonds (distance) C4'-P energy: -146.767
bonds (distance) P-C4' energy: -146.966
flat angles C4'-P-C4' energy: -151.349
flat angles P-C4'-P energy: -92.518
tors. eta vs tors. theta energy: -65.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1160.416045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.416045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.416045 (E_RNA)
where:
Base-Base interactions energy: -616.924
where: short stacking energy: -364.587
Base-Backbone interact. energy: -2.178
local terms energy: -541.314172
where:
bonds (distance) C4'-P energy: -146.089
bonds (distance) P-C4' energy: -136.854
flat angles C4'-P-C4' energy: -122.221
flat angles P-C4'-P energy: -85.384
tors. eta vs tors. theta energy: -50.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -805.397947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.397947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.397947 (E_RNA)
where:
Base-Base interactions energy: -354.626
where: short stacking energy: -220.245
Base-Backbone interact. energy: 4.254
local terms energy: -455.026118
where:
bonds (distance) C4'-P energy: -139.901
bonds (distance) P-C4' energy: -133.839
flat angles C4'-P-C4' energy: -118.421
flat angles P-C4'-P energy: -66.995
tors. eta vs tors. theta energy: 4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -3143.824679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3143.824679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3143.824679 (E_RNA)
where:
Base-Base interactions energy: -2148.607
where: short stacking energy: -911.321
Base-Backbone interact. energy: -3.949
local terms energy: -991.267943
where:
bonds (distance) C4'-P energy: -171.060
bonds (distance) P-C4' energy: -189.390
flat angles C4'-P-C4' energy: -201.291
flat angles P-C4'-P energy: -143.226
tors. eta vs tors. theta energy: -286.301
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: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -3041.948492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.948492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.948492 (E_RNA)
where:
Base-Base interactions energy: -2119.098
where: short stacking energy: -873.494
Base-Backbone interact. energy: -6.224
local terms energy: -916.627097
where:
bonds (distance) C4'-P energy: -174.595
bonds (distance) P-C4' energy: -173.063
flat angles C4'-P-C4' energy: -193.014
flat angles P-C4'-P energy: -125.663
tors. eta vs tors. theta energy: -250.293
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2831.946688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.946688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.946688 (E_RNA)
where:
Base-Base interactions energy: -1947.152
where: short stacking energy: -801.516
Base-Backbone interact. energy: -1.380
local terms energy: -883.414964
where:
bonds (distance) C4'-P energy: -159.527
bonds (distance) P-C4' energy: -175.763
flat angles C4'-P-C4' energy: -194.297
flat angles P-C4'-P energy: -127.672
tors. eta vs tors. theta energy: -226.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2656.991582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.991582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.991582 (E_RNA)
where:
Base-Base interactions energy: -1808.225
where: short stacking energy: -790.549
Base-Backbone interact. energy: 1.017
local terms energy: -849.783454
where:
bonds (distance) C4'-P energy: -156.800
bonds (distance) P-C4' energy: -144.961
flat angles C4'-P-C4' energy: -187.798
flat angles P-C4'-P energy: -126.270
tors. eta vs tors. theta energy: -233.955
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: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2476.130997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.130997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.130997 (E_RNA)
where:
Base-Base interactions energy: -1663.801
where: short stacking energy: -724.452
Base-Backbone interact. energy: -4.284
local terms energy: -808.045336
where:
bonds (distance) C4'-P energy: -152.597
bonds (distance) P-C4' energy: -172.941
flat angles C4'-P-C4' energy: -165.410
flat angles P-C4'-P energy: -118.150
tors. eta vs tors. theta energy: -198.947
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: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2309.725372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.725372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.725372 (E_RNA)
where:
Base-Base interactions energy: -1566.358
where: short stacking energy: -636.689
Base-Backbone interact. energy: -0.909
local terms energy: -742.458735
where:
bonds (distance) C4'-P energy: -127.450
bonds (distance) P-C4' energy: -162.067
flat angles C4'-P-C4' energy: -169.793
flat angles P-C4'-P energy: -106.520
tors. eta vs tors. theta energy: -176.629
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: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1792.432429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.432429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.432429 (E_RNA)
where:
Base-Base interactions energy: -1130.556
where: short stacking energy: -503.265
Base-Backbone interact. energy: 0.382
local terms energy: -662.258048
where:
bonds (distance) C4'-P energy: -142.582
bonds (distance) P-C4' energy: -167.371
flat angles C4'-P-C4' energy: -156.473
flat angles P-C4'-P energy: -90.347
tors. eta vs tors. theta energy: -105.485
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: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1412.054911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.054911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.054911 (E_RNA)
where:
Base-Base interactions energy: -799.515
where: short stacking energy: -414.081
Base-Backbone interact. energy: 0.712
local terms energy: -613.251898
where:
bonds (distance) C4'-P energy: -140.130
bonds (distance) P-C4' energy: -164.205
flat angles C4'-P-C4' energy: -143.467
flat angles P-C4'-P energy: -91.319
tors. eta vs tors. theta energy: -74.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1084.583714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.583714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.583714 (E_RNA)
where:
Base-Base interactions energy: -561.859
where: short stacking energy: -302.661
Base-Backbone interact. energy: -1.621
local terms energy: -521.102946
where:
bonds (distance) C4'-P energy: -125.136
bonds (distance) P-C4' energy: -163.618
flat angles C4'-P-C4' energy: -146.525
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -0.637
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: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -755.366851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.366851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.366851 (E_RNA)
where:
Base-Base interactions energy: -307.525
where: short stacking energy: -221.103
Base-Backbone interact. energy: 0.735
local terms energy: -448.576812
where:
bonds (distance) C4'-P energy: -139.918
bonds (distance) P-C4' energy: -150.027
flat angles C4'-P-C4' energy: -105.757
flat angles P-C4'-P energy: -74.793
tors. eta vs tors. theta energy: 21.919
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: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -3142.994421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3142.994421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3142.994421 (E_RNA)
where:
Base-Base interactions energy: -2144.824
where: short stacking energy: -927.382
Base-Backbone interact. energy: -4.705
local terms energy: -993.465879
where:
bonds (distance) C4'-P energy: -169.792
bonds (distance) P-C4' energy: -193.250
flat angles C4'-P-C4' energy: -208.561
flat angles P-C4'-P energy: -128.766
tors. eta vs tors. theta energy: -293.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -3071.117157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3071.117157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3071.117157 (E_RNA)
where:
Base-Base interactions energy: -2145.865
where: short stacking energy: -844.498
Base-Backbone interact. energy: -4.837
local terms energy: -920.415875
where:
bonds (distance) C4'-P energy: -166.624
bonds (distance) P-C4' energy: -166.107
flat angles C4'-P-C4' energy: -202.504
flat angles P-C4'-P energy: -129.159
tors. eta vs tors. theta energy: -256.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2808.718039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.718039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.718039 (E_RNA)
where:
Base-Base interactions energy: -1923.321
where: short stacking energy: -796.704
Base-Backbone interact. energy: 0.545
local terms energy: -885.942271
where:
bonds (distance) C4'-P energy: -163.691
bonds (distance) P-C4' energy: -176.769
flat angles C4'-P-C4' energy: -177.459
flat angles P-C4'-P energy: -135.710
tors. eta vs tors. theta energy: -232.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2661.103589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.103589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.103589 (E_RNA)
where:
Base-Base interactions energy: -1769.706
where: short stacking energy: -755.147
Base-Backbone interact. energy: -3.422
local terms energy: -887.975027
where:
bonds (distance) C4'-P energy: -176.549
bonds (distance) P-C4' energy: -179.518
flat angles C4'-P-C4' energy: -184.505
flat angles P-C4'-P energy: -126.202
tors. eta vs tors. theta energy: -221.201
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: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2475.202073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.202073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.202073 (E_RNA)
where:
Base-Base interactions energy: -1674.798
where: short stacking energy: -712.118
Base-Backbone interact. energy: -6.280
local terms energy: -794.123725
where:
bonds (distance) C4'-P energy: -145.376
bonds (distance) P-C4' energy: -173.557
flat angles C4'-P-C4' energy: -163.868
flat angles P-C4'-P energy: -109.378
tors. eta vs tors. theta energy: -201.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2358.551726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.551726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.551726 (E_RNA)
where:
Base-Base interactions energy: -1595.212
where: short stacking energy: -683.720
Base-Backbone interact. energy: 2.139
local terms energy: -765.478750
where:
bonds (distance) C4'-P energy: -165.657
bonds (distance) P-C4' energy: -125.719
flat angles C4'-P-C4' energy: -161.440
flat angles P-C4'-P energy: -109.817
tors. eta vs tors. theta energy: -202.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1903.362403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.362403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.362403 (E_RNA)
where:
Base-Base interactions energy: -1212.470
where: short stacking energy: -555.381
Base-Backbone interact. energy: -1.917
local terms energy: -688.974897
where:
bonds (distance) C4'-P energy: -164.440
bonds (distance) P-C4' energy: -152.109
flat angles C4'-P-C4' energy: -175.888
flat angles P-C4'-P energy: -94.987
tors. eta vs tors. theta energy: -101.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1483.673230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.673230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.673230 (E_RNA)
where:
Base-Base interactions energy: -882.653
where: short stacking energy: -427.016
Base-Backbone interact. energy: -0.059
local terms energy: -600.961220
where:
bonds (distance) C4'-P energy: -124.515
bonds (distance) P-C4' energy: -154.665
flat angles C4'-P-C4' energy: -154.300
flat angles P-C4'-P energy: -90.743
tors. eta vs tors. theta energy: -76.739
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: 422
Temperature: 1.300000
Total energy: -1081.659972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.659972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.659972 (E_RNA)
where:
Base-Base interactions energy: -569.495
where: short stacking energy: -276.262
Base-Backbone interact. energy: -0.813
local terms energy: -511.352383
where:
bonds (distance) C4'-P energy: -136.759
bonds (distance) P-C4' energy: -146.320
flat angles C4'-P-C4' energy: -139.608
flat angles P-C4'-P energy: -80.767
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -769.955308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.955308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.955308 (E_RNA)
where:
Base-Base interactions energy: -309.470
where: short stacking energy: -206.973
Base-Backbone interact. energy: -4.582
local terms energy: -455.903723
where:
bonds (distance) C4'-P energy: -155.065
bonds (distance) P-C4' energy: -143.162
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -66.014
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: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -3149.452408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3149.452408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3149.452408 (E_RNA)
where:
Base-Base interactions energy: -2150.004
where: short stacking energy: -928.486
Base-Backbone interact. energy: -2.295
local terms energy: -997.153663
where:
bonds (distance) C4'-P energy: -187.329
bonds (distance) P-C4' energy: -171.527
flat angles C4'-P-C4' energy: -213.301
flat angles P-C4'-P energy: -127.044
tors. eta vs tors. theta energy: -297.953
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -3130.604958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3130.604958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3130.604958 (E_RNA)
where:
Base-Base interactions energy: -2191.476
where: short stacking energy: -851.982
Base-Backbone interact. energy: -0.594
local terms energy: -938.534550
where:
bonds (distance) C4'-P energy: -166.475
bonds (distance) P-C4' energy: -187.905
flat angles C4'-P-C4' energy: -192.361
flat angles P-C4'-P energy: -136.843
tors. eta vs tors. theta energy: -254.952
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2846.863337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.863337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.863337 (E_RNA)
where:
Base-Base interactions energy: -1932.057
where: short stacking energy: -789.534
Base-Backbone interact. energy: -1.997
local terms energy: -912.808888
where:
bonds (distance) C4'-P energy: -181.677
bonds (distance) P-C4' energy: -169.250
flat angles C4'-P-C4' energy: -193.546
flat angles P-C4'-P energy: -135.611
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: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2704.350353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.350353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.350353 (E_RNA)
where:
Base-Base interactions energy: -1839.677
where: short stacking energy: -817.380
Base-Backbone interact. energy: -1.483
local terms energy: -863.190258
where:
bonds (distance) C4'-P energy: -158.732
bonds (distance) P-C4' energy: -161.139
flat angles C4'-P-C4' energy: -191.834
flat angles P-C4'-P energy: -111.903
tors. eta vs tors. theta energy: -239.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2501.083274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.083274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.083274 (E_RNA)
where:
Base-Base interactions energy: -1665.518
where: short stacking energy: -711.814
Base-Backbone interact. energy: 0.168
local terms energy: -835.733501
where:
bonds (distance) C4'-P energy: -141.900
bonds (distance) P-C4' energy: -184.714
flat angles C4'-P-C4' energy: -186.885
flat angles P-C4'-P energy: -129.297
tors. eta vs tors. theta energy: -192.937
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2316.570395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.570395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.570395 (E_RNA)
where:
Base-Base interactions energy: -1535.891
where: short stacking energy: -670.898
Base-Backbone interact. energy: -1.385
local terms energy: -779.295077
where:
bonds (distance) C4'-P energy: -157.539
bonds (distance) P-C4' energy: -173.260
flat angles C4'-P-C4' energy: -178.303
flat angles P-C4'-P energy: -91.875
tors. eta vs tors. theta energy: -178.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1929.083118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.083118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.083118 (E_RNA)
where:
Base-Base interactions energy: -1224.677
where: short stacking energy: -540.009
Base-Backbone interact. energy: -0.389
local terms energy: -704.017945
where:
bonds (distance) C4'-P energy: -133.273
bonds (distance) P-C4' energy: -177.881
flat angles C4'-P-C4' energy: -174.266
flat angles P-C4'-P energy: -111.243
tors. eta vs tors. theta energy: -107.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1401.247899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.247899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.247899 (E_RNA)
where:
Base-Base interactions energy: -783.019
where: short stacking energy: -378.224
Base-Backbone interact. energy: -2.194
local terms energy: -616.035318
where:
bonds (distance) C4'-P energy: -154.134
bonds (distance) P-C4' energy: -177.126
flat angles C4'-P-C4' energy: -140.869
flat angles P-C4'-P energy: -92.996
tors. eta vs tors. theta energy: -50.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -987.631729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.631729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.631729 (E_RNA)
where:
Base-Base interactions energy: -494.892
where: short stacking energy: -293.429
Base-Backbone interact. energy: 4.990
local terms energy: -497.729857
where:
bonds (distance) C4'-P energy: -145.910
bonds (distance) P-C4' energy: -134.638
flat angles C4'-P-C4' energy: -119.232
flat angles P-C4'-P energy: -84.337
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -765.155614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.155614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.155614 (E_RNA)
where:
Base-Base interactions energy: -282.548
where: short stacking energy: -188.948
Base-Backbone interact. energy: 3.631
local terms energy: -486.238885
where:
bonds (distance) C4'-P energy: -152.659
bonds (distance) P-C4' energy: -152.449
flat angles C4'-P-C4' energy: -126.144
flat angles P-C4'-P energy: -74.977
tors. eta vs tors. theta energy: 19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -3139.084260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3139.084260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3139.084260 (E_RNA)
where:
Base-Base interactions energy: -2145.657
where: short stacking energy: -907.369
Base-Backbone interact. energy: -0.045
local terms energy: -993.381967
where:
bonds (distance) C4'-P energy: -180.610
bonds (distance) P-C4' energy: -184.087
flat angles C4'-P-C4' energy: -208.518
flat angles P-C4'-P energy: -139.081
tors. eta vs tors. theta energy: -281.087
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: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -3071.311833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3071.311833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3071.311833 (E_RNA)
where:
Base-Base interactions energy: -2156.773
where: short stacking energy: -871.739
Base-Backbone interact. energy: -2.192
local terms energy: -912.346088
where:
bonds (distance) C4'-P energy: -171.953
bonds (distance) P-C4' energy: -176.332
flat angles C4'-P-C4' energy: -187.635
flat angles P-C4'-P energy: -124.404
tors. eta vs tors. theta energy: -252.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2858.392978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.392978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.392978 (E_RNA)
where:
Base-Base interactions energy: -1979.310
where: short stacking energy: -830.459
Base-Backbone interact. energy: -0.650
local terms energy: -878.432600
where:
bonds (distance) C4'-P energy: -154.989
bonds (distance) P-C4' energy: -156.844
flat angles C4'-P-C4' energy: -189.108
flat angles P-C4'-P energy: -125.990
tors. eta vs tors. theta energy: -251.501
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: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2711.074685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.074685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.074685 (E_RNA)
where:
Base-Base interactions energy: -1825.310
where: short stacking energy: -796.591
Base-Backbone interact. energy: -5.442
local terms energy: -880.322996
where:
bonds (distance) C4'-P energy: -165.565
bonds (distance) P-C4' energy: -158.858
flat angles C4'-P-C4' energy: -172.423
flat angles P-C4'-P energy: -139.084
tors. eta vs tors. theta energy: -244.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2503.907256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.907256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.907256 (E_RNA)
where:
Base-Base interactions energy: -1686.153
where: short stacking energy: -724.463
Base-Backbone interact. energy: -2.282
local terms energy: -815.471819
where:
bonds (distance) C4'-P energy: -147.484
bonds (distance) P-C4' energy: -178.039
flat angles C4'-P-C4' energy: -184.176
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -206.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2329.688664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.688664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.688664 (E_RNA)
where:
Base-Base interactions energy: -1536.075
where: short stacking energy: -670.924
Base-Backbone interact. energy: 4.005
local terms energy: -797.618361
where:
bonds (distance) C4'-P energy: -165.152
bonds (distance) P-C4' energy: -159.516
flat angles C4'-P-C4' energy: -171.386
flat angles P-C4'-P energy: -109.103
tors. eta vs tors. theta energy: -192.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1946.647962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.647962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.647962 (E_RNA)
where:
Base-Base interactions energy: -1231.804
where: short stacking energy: -534.901
Base-Backbone interact. energy: -1.885
local terms energy: -712.958782
where:
bonds (distance) C4'-P energy: -156.923
bonds (distance) P-C4' energy: -156.281
flat angles C4'-P-C4' energy: -166.290
flat angles P-C4'-P energy: -100.422
tors. eta vs tors. theta energy: -133.042
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: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1423.994724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.994724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.994724 (E_RNA)
where:
Base-Base interactions energy: -830.579
where: short stacking energy: -389.179
Base-Backbone interact. energy: -0.465
local terms energy: -592.951242
where:
bonds (distance) C4'-P energy: -155.333
bonds (distance) P-C4' energy: -148.982
flat angles C4'-P-C4' energy: -159.202
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -50.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1093.706464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.706464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.706464 (E_RNA)
where:
Base-Base interactions energy: -594.635
where: short stacking energy: -311.033
Base-Backbone interact. energy: 1.482
local terms energy: -500.553198
where:
bonds (distance) C4'-P energy: -146.148
bonds (distance) P-C4' energy: -123.315
flat angles C4'-P-C4' energy: -147.097
flat angles P-C4'-P energy: -66.140
tors. eta vs tors. theta energy: -17.852
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: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -752.162031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.162031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.162031 (E_RNA)
where:
Base-Base interactions energy: -268.287
where: short stacking energy: -178.380
Base-Backbone interact. energy: -2.409
local terms energy: -481.465873
where:
bonds (distance) C4'-P energy: -151.474
bonds (distance) P-C4' energy: -160.129
flat angles C4'-P-C4' energy: -129.547
flat angles P-C4'-P energy: -84.343
tors. eta vs tors. theta energy: 44.027
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: 425
Temperature: 0.900000
Total energy: -3125.717315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3125.717315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3125.717315 (E_RNA)
where:
Base-Base interactions energy: -2128.606
where: short stacking energy: -909.384
Base-Backbone interact. energy: -4.796
local terms energy: -992.316030
where:
bonds (distance) C4'-P energy: -171.823
bonds (distance) P-C4' energy: -191.368
flat angles C4'-P-C4' energy: -205.532
flat angles P-C4'-P energy: -139.770
tors. eta vs tors. theta energy: -283.824
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -3081.801773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3081.801773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3081.801773 (E_RNA)
where:
Base-Base interactions energy: -2172.305
where: short stacking energy: -831.230
Base-Backbone interact. energy: -1.590
local terms energy: -907.906243
where:
bonds (distance) C4'-P energy: -161.473
bonds (distance) P-C4' energy: -175.364
flat angles C4'-P-C4' energy: -193.966
flat angles P-C4'-P energy: -134.285
tors. eta vs tors. theta energy: -242.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2850.369045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.369045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.369045 (E_RNA)
where:
Base-Base interactions energy: -1995.975
where: short stacking energy: -795.525
Base-Backbone interact. energy: -0.751
local terms energy: -853.643030
where:
bonds (distance) C4'-P energy: -162.725
bonds (distance) P-C4' energy: -166.821
flat angles C4'-P-C4' energy: -187.979
flat angles P-C4'-P energy: -105.645
tors. eta vs tors. theta energy: -230.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2702.894328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.894328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.894328 (E_RNA)
where:
Base-Base interactions energy: -1796.442
where: short stacking energy: -807.153
Base-Backbone interact. energy: -5.133
local terms energy: -901.319426
where:
bonds (distance) C4'-P energy: -168.976
bonds (distance) P-C4' energy: -172.971
flat angles C4'-P-C4' energy: -181.973
flat angles P-C4'-P energy: -123.628
tors. eta vs tors. theta energy: -253.771
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: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2470.703749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.703749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.703749 (E_RNA)
where:
Base-Base interactions energy: -1654.470
where: short stacking energy: -714.613
Base-Backbone interact. energy: 4.385
local terms energy: -820.618417
where:
bonds (distance) C4'-P energy: -133.205
bonds (distance) P-C4' energy: -176.276
flat angles C4'-P-C4' energy: -177.235
flat angles P-C4'-P energy: -125.280
tors. eta vs tors. theta energy: -208.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2372.607339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.607339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.607339 (E_RNA)
where:
Base-Base interactions energy: -1571.669
where: short stacking energy: -678.223
Base-Backbone interact. energy: -4.484
local terms energy: -796.453756
where:
bonds (distance) C4'-P energy: -131.115
bonds (distance) P-C4' energy: -170.209
flat angles C4'-P-C4' energy: -183.087
flat angles P-C4'-P energy: -122.775
tors. eta vs tors. theta energy: -189.268
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: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1895.579358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.579358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.579358 (E_RNA)
where:
Base-Base interactions energy: -1222.170
where: short stacking energy: -541.009
Base-Backbone interact. energy: -4.633
local terms energy: -668.775853
where:
bonds (distance) C4'-P energy: -146.658
bonds (distance) P-C4' energy: -156.763
flat angles C4'-P-C4' energy: -154.582
flat angles P-C4'-P energy: -109.741
tors. eta vs tors. theta energy: -101.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1438.563956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.563956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.563956 (E_RNA)
where:
Base-Base interactions energy: -861.909
where: short stacking energy: -464.893
Base-Backbone interact. energy: 9.250
local terms energy: -585.904765
where:
bonds (distance) C4'-P energy: -153.267
bonds (distance) P-C4' energy: -141.800
flat angles C4'-P-C4' energy: -126.191
flat angles P-C4'-P energy: -100.176
tors. eta vs tors. theta energy: -64.471
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: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1078.780957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.780957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.780957 (E_RNA)
where:
Base-Base interactions energy: -566.387
where: short stacking energy: -315.966
Base-Backbone interact. energy: 2.429
local terms energy: -514.822248
where:
bonds (distance) C4'-P energy: -120.513
bonds (distance) P-C4' energy: -152.351
flat angles C4'-P-C4' energy: -137.337
flat angles P-C4'-P energy: -87.739
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -782.692286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.692286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.692286 (E_RNA)
where:
Base-Base interactions energy: -356.591
where: short stacking energy: -228.689
Base-Backbone interact. energy: -2.441
local terms energy: -423.660825
where:
bonds (distance) C4'-P energy: -142.976
bonds (distance) P-C4' energy: -138.190
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: 30.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -3142.192095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3142.192095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3142.192095 (E_RNA)
where:
Base-Base interactions energy: -2158.127
where: short stacking energy: -936.061
Base-Backbone interact. energy: -5.826
local terms energy: -978.239807
where:
bonds (distance) C4'-P energy: -169.748
bonds (distance) P-C4' energy: -186.780
flat angles C4'-P-C4' energy: -197.014
flat angles P-C4'-P energy: -140.388
tors. eta vs tors. theta energy: -284.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -3084.369456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3084.369456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3084.369456 (E_RNA)
where:
Base-Base interactions energy: -2161.729
where: short stacking energy: -826.007
Base-Backbone interact. energy: -5.293
local terms energy: -917.347699
where:
bonds (distance) C4'-P energy: -183.191
bonds (distance) P-C4' energy: -179.482
flat angles C4'-P-C4' energy: -175.010
flat angles P-C4'-P energy: -146.631
tors. eta vs tors. theta energy: -233.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2842.001956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.001956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.001956 (E_RNA)
where:
Base-Base interactions energy: -1968.126
where: short stacking energy: -813.258
Base-Backbone interact. energy: -2.105
local terms energy: -871.770983
where:
bonds (distance) C4'-P energy: -149.982
bonds (distance) P-C4' energy: -176.838
flat angles C4'-P-C4' energy: -192.409
flat angles P-C4'-P energy: -115.326
tors. eta vs tors. theta energy: -237.217
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: 426
Temperature: 1.050000
Total energy: -2709.533441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.533441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.533441 (E_RNA)
where:
Base-Base interactions energy: -1861.857
where: short stacking energy: -813.334
Base-Backbone interact. energy: -5.074
local terms energy: -842.602271
where:
bonds (distance) C4'-P energy: -145.758
bonds (distance) P-C4' energy: -159.295
flat angles C4'-P-C4' energy: -195.342
flat angles P-C4'-P energy: -107.091
tors. eta vs tors. theta energy: -235.117
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: 426
Temperature: 1.100000
Total energy: -2512.851594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.851594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.851594 (E_RNA)
where:
Base-Base interactions energy: -1666.617
where: short stacking energy: -734.427
Base-Backbone interact. energy: -3.956
local terms energy: -842.279532
where:
bonds (distance) C4'-P energy: -158.249
bonds (distance) P-C4' energy: -173.483
flat angles C4'-P-C4' energy: -189.486
flat angles P-C4'-P energy: -124.530
tors. eta vs tors. theta energy: -196.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2349.455544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.455544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.455544 (E_RNA)
where:
Base-Base interactions energy: -1556.752
where: short stacking energy: -689.560
Base-Backbone interact. energy: 4.411
local terms energy: -797.114981
where:
bonds (distance) C4'-P energy: -163.331
bonds (distance) P-C4' energy: -158.703
flat angles C4'-P-C4' energy: -180.118
flat angles P-C4'-P energy: -121.337
tors. eta vs tors. theta energy: -173.626
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1903.681337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.681337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.681337 (E_RNA)
where:
Base-Base interactions energy: -1252.163
where: short stacking energy: -556.362
Base-Backbone interact. energy: -1.310
local terms energy: -650.207837
where:
bonds (distance) C4'-P energy: -140.976
bonds (distance) P-C4' energy: -147.193
flat angles C4'-P-C4' energy: -152.660
flat angles P-C4'-P energy: -96.639
tors. eta vs tors. theta energy: -112.741
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: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1373.709732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.709732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.709732 (E_RNA)
where:
Base-Base interactions energy: -817.069
where: short stacking energy: -385.442
Base-Backbone interact. energy: 7.486
local terms energy: -564.126704
where:
bonds (distance) C4'-P energy: -155.652
bonds (distance) P-C4' energy: -155.075
flat angles C4'-P-C4' energy: -134.709
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -41.358
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1077.265652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.265652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.265652 (E_RNA)
where:
Base-Base interactions energy: -610.126
where: short stacking energy: -289.837
Base-Backbone interact. energy: 2.557
local terms energy: -469.696602
where:
bonds (distance) C4'-P energy: -146.185
bonds (distance) P-C4' energy: -160.069
flat angles C4'-P-C4' energy: -111.571
flat angles P-C4'-P energy: -44.903
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -777.638616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.638616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.638616 (E_RNA)
where:
Base-Base interactions energy: -365.658
where: short stacking energy: -200.024
Base-Backbone interact. energy: 2.017
local terms energy: -413.997214
where:
bonds (distance) C4'-P energy: -136.878
bonds (distance) P-C4' energy: -151.701
flat angles C4'-P-C4' energy: -111.425
flat angles P-C4'-P energy: -68.192
tors. eta vs tors. theta energy: 54.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -3129.679249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3129.679249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3129.679249 (E_RNA)
where:
Base-Base interactions energy: -2121.990
where: short stacking energy: -909.384
Base-Backbone interact. energy: -2.224
local terms energy: -1005.465743
where:
bonds (distance) C4'-P energy: -167.141
bonds (distance) P-C4' energy: -205.508
flat angles C4'-P-C4' energy: -203.973
flat angles P-C4'-P energy: -142.871
tors. eta vs tors. theta energy: -285.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -3091.982811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3091.982811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3091.982811 (E_RNA)
where:
Base-Base interactions energy: -2176.593
where: short stacking energy: -852.347
Base-Backbone interact. energy: -1.992
local terms energy: -913.397851
where:
bonds (distance) C4'-P energy: -179.114
bonds (distance) P-C4' energy: -167.469
flat angles C4'-P-C4' energy: -200.938
flat angles P-C4'-P energy: -126.897
tors. eta vs tors. theta energy: -238.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2839.918832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.918832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.918832 (E_RNA)
where:
Base-Base interactions energy: -1974.767
where: short stacking energy: -810.087
Base-Backbone interact. energy: -4.470
local terms energy: -860.681348
where:
bonds (distance) C4'-P energy: -166.529
bonds (distance) P-C4' energy: -166.958
flat angles C4'-P-C4' energy: -190.332
flat angles P-C4'-P energy: -114.737
tors. eta vs tors. theta energy: -222.125
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: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2702.737150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.737150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.737150 (E_RNA)
where:
Base-Base interactions energy: -1822.471
where: short stacking energy: -791.971
Base-Backbone interact. energy: -1.308
local terms energy: -878.958670
where:
bonds (distance) C4'-P energy: -178.855
bonds (distance) P-C4' energy: -157.550
flat angles C4'-P-C4' energy: -189.824
flat angles P-C4'-P energy: -121.392
tors. eta vs tors. theta energy: -231.337
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: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2455.927362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.927362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.927362 (E_RNA)
where:
Base-Base interactions energy: -1662.534
where: short stacking energy: -729.326
Base-Backbone interact. energy: 0.377
local terms energy: -793.770124
where:
bonds (distance) C4'-P energy: -156.658
bonds (distance) P-C4' energy: -152.518
flat angles C4'-P-C4' energy: -173.344
flat angles P-C4'-P energy: -113.393
tors. eta vs tors. theta energy: -197.857
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: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2298.433440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.433440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.433440 (E_RNA)
where:
Base-Base interactions energy: -1521.842
where: short stacking energy: -634.270
Base-Backbone interact. energy: -3.765
local terms energy: -772.826180
where:
bonds (distance) C4'-P energy: -152.139
bonds (distance) P-C4' energy: -159.394
flat angles C4'-P-C4' energy: -175.972
flat angles P-C4'-P energy: -129.493
tors. eta vs tors. theta energy: -155.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1911.870952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.870952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.870952 (E_RNA)
where:
Base-Base interactions energy: -1268.033
where: short stacking energy: -555.061
Base-Backbone interact. energy: 8.558
local terms energy: -652.396149
where:
bonds (distance) C4'-P energy: -145.603
bonds (distance) P-C4' energy: -154.347
flat angles C4'-P-C4' energy: -149.309
flat angles P-C4'-P energy: -87.290
tors. eta vs tors. theta energy: -115.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1439.728726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.728726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.728726 (E_RNA)
where:
Base-Base interactions energy: -809.724
where: short stacking energy: -429.832
Base-Backbone interact. energy: 9.116
local terms energy: -639.120654
where:
bonds (distance) C4'-P energy: -161.635
bonds (distance) P-C4' energy: -140.848
flat angles C4'-P-C4' energy: -152.509
flat angles P-C4'-P energy: -91.004
tors. eta vs tors. theta energy: -93.124
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: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1178.855475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.855475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.855475 (E_RNA)
where:
Base-Base interactions energy: -592.540
where: short stacking energy: -330.007
Base-Backbone interact. energy: -1.067
local terms energy: -585.248119
where:
bonds (distance) C4'-P energy: -156.447
bonds (distance) P-C4' energy: -158.666
flat angles C4'-P-C4' energy: -139.387
flat angles P-C4'-P energy: -94.722
tors. eta vs tors. theta energy: -36.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -842.075666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.075666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.075666 (E_RNA)
where:
Base-Base interactions energy: -371.949
where: short stacking energy: -221.297
Base-Backbone interact. energy: -1.993
local terms energy: -468.133006
where:
bonds (distance) C4'-P energy: -134.669
bonds (distance) P-C4' energy: -144.383
flat angles C4'-P-C4' energy: -121.988
flat angles P-C4'-P energy: -90.805
tors. eta vs tors. theta energy: 23.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -3159.887002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3159.887002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3159.887002 (E_RNA)
where:
Base-Base interactions energy: -2199.678
where: short stacking energy: -906.710
Base-Backbone interact. energy: 0.867
local terms energy: -961.076231
where:
bonds (distance) C4'-P energy: -184.105
bonds (distance) P-C4' energy: -186.559
flat angles C4'-P-C4' energy: -206.390
flat angles P-C4'-P energy: -132.099
tors. eta vs tors. theta energy: -251.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -3036.388161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.388161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.388161 (E_RNA)
where:
Base-Base interactions energy: -2038.559
where: short stacking energy: -900.582
Base-Backbone interact. energy: -8.539
local terms energy: -989.290969
where:
bonds (distance) C4'-P energy: -169.453
bonds (distance) P-C4' energy: -190.269
flat angles C4'-P-C4' energy: -198.854
flat angles P-C4'-P energy: -142.164
tors. eta vs tors. theta energy: -288.552
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2827.907909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.907909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.907909 (E_RNA)
where:
Base-Base interactions energy: -1931.700
where: short stacking energy: -802.327
Base-Backbone interact. energy: -3.327
local terms energy: -892.880930
where:
bonds (distance) C4'-P energy: -178.378
bonds (distance) P-C4' energy: -163.285
flat angles C4'-P-C4' energy: -185.619
flat angles P-C4'-P energy: -131.781
tors. eta vs tors. theta energy: -233.819
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: 428
Temperature: 1.050000
Total energy: -2708.822448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.822448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.822448 (E_RNA)
where:
Base-Base interactions energy: -1801.624
where: short stacking energy: -797.678
Base-Backbone interact. energy: -4.417
local terms energy: -902.780808
where:
bonds (distance) C4'-P energy: -166.249
bonds (distance) P-C4' energy: -170.812
flat angles C4'-P-C4' energy: -189.183
flat angles P-C4'-P energy: -134.563
tors. eta vs tors. theta energy: -241.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2450.125692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.125692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.125692 (E_RNA)
where:
Base-Base interactions energy: -1650.356
where: short stacking energy: -727.902
Base-Backbone interact. energy: -5.664
local terms energy: -794.105558
where:
bonds (distance) C4'-P energy: -160.169
bonds (distance) P-C4' energy: -150.027
flat angles C4'-P-C4' energy: -183.422
flat angles P-C4'-P energy: -105.838
tors. eta vs tors. theta energy: -194.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2390.019450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.019450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.019450 (E_RNA)
where:
Base-Base interactions energy: -1627.468
where: short stacking energy: -669.857
Base-Backbone interact. energy: -0.071
local terms energy: -762.480849
where:
bonds (distance) C4'-P energy: -149.786
bonds (distance) P-C4' energy: -148.594
flat angles C4'-P-C4' energy: -180.816
flat angles P-C4'-P energy: -95.267
tors. eta vs tors. theta energy: -188.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1908.786428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.786428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.786428 (E_RNA)
where:
Base-Base interactions energy: -1241.931
where: short stacking energy: -540.111
Base-Backbone interact. energy: -1.564
local terms energy: -665.290842
where:
bonds (distance) C4'-P energy: -132.841
bonds (distance) P-C4' energy: -159.364
flat angles C4'-P-C4' energy: -160.663
flat angles P-C4'-P energy: -91.685
tors. eta vs tors. theta energy: -120.739
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: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1421.342387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.342387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.342387 (E_RNA)
where:
Base-Base interactions energy: -832.201
where: short stacking energy: -402.667
Base-Backbone interact. energy: 6.786
local terms energy: -595.927039
where:
bonds (distance) C4'-P energy: -133.029
bonds (distance) P-C4' energy: -147.636
flat angles C4'-P-C4' energy: -154.047
flat angles P-C4'-P energy: -81.990
tors. eta vs tors. theta energy: -79.225
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: 428
Temperature: 1.300000
Total energy: -1143.664382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.664382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.664382 (E_RNA)
where:
Base-Base interactions energy: -643.224
where: short stacking energy: -328.970
Base-Backbone interact. energy: -3.032
local terms energy: -497.409072
where:
bonds (distance) C4'-P energy: -134.083
bonds (distance) P-C4' energy: -146.021
flat angles C4'-P-C4' energy: -127.903
flat angles P-C4'-P energy: -78.586
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -844.596323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.596323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.596323 (E_RNA)
where:
Base-Base interactions energy: -370.064
where: short stacking energy: -229.130
Base-Backbone interact. energy: -0.922
local terms energy: -473.609953
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -157.159
flat angles C4'-P-C4' energy: -133.604
flat angles P-C4'-P energy: -96.856
tors. eta vs tors. theta energy: 6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -3153.294471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3153.294471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3153.294471 (E_RNA)
where:
Base-Base interactions energy: -2219.229
where: short stacking energy: -887.519
Base-Backbone interact. energy: -4.186
local terms energy: -929.879323
where:
bonds (distance) C4'-P energy: -154.868
bonds (distance) P-C4' energy: -189.170
flat angles C4'-P-C4' energy: -195.904
flat angles P-C4'-P energy: -140.276
tors. eta vs tors. theta energy: -249.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -3060.525913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3060.525913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3060.525913 (E_RNA)
where:
Base-Base interactions energy: -2093.909
where: short stacking energy: -912.816
Base-Backbone interact. energy: -3.859
local terms energy: -962.757276
where:
bonds (distance) C4'-P energy: -156.831
bonds (distance) P-C4' energy: -181.380
flat angles C4'-P-C4' energy: -206.948
flat angles P-C4'-P energy: -131.581
tors. eta vs tors. theta energy: -286.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2853.091795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.091795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.091795 (E_RNA)
where:
Base-Base interactions energy: -1954.597
where: short stacking energy: -803.598
Base-Backbone interact. energy: -3.346
local terms energy: -895.148031
where:
bonds (distance) C4'-P energy: -173.312
bonds (distance) P-C4' energy: -182.428
flat angles C4'-P-C4' energy: -197.322
flat angles P-C4'-P energy: -106.692
tors. eta vs tors. theta energy: -235.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2666.209233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.209233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.209233 (E_RNA)
where:
Base-Base interactions energy: -1816.021
where: short stacking energy: -787.290
Base-Backbone interact. energy: -3.284
local terms energy: -846.904452
where:
bonds (distance) C4'-P energy: -154.783
bonds (distance) P-C4' energy: -135.668
flat angles C4'-P-C4' energy: -189.938
flat angles P-C4'-P energy: -130.127
tors. eta vs tors. theta energy: -236.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2440.089722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.089722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.089722 (E_RNA)
where:
Base-Base interactions energy: -1648.446
where: short stacking energy: -700.904
Base-Backbone interact. energy: 2.320
local terms energy: -793.964063
where:
bonds (distance) C4'-P energy: -142.186
bonds (distance) P-C4' energy: -159.420
flat angles C4'-P-C4' energy: -181.474
flat angles P-C4'-P energy: -122.631
tors. eta vs tors. theta energy: -188.252
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: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2392.950945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.950945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.950945 (E_RNA)
where:
Base-Base interactions energy: -1612.207
where: short stacking energy: -696.049
Base-Backbone interact. energy: -3.620
local terms energy: -777.124098
where:
bonds (distance) C4'-P energy: -151.874
bonds (distance) P-C4' energy: -152.713
flat angles C4'-P-C4' energy: -160.226
flat angles P-C4'-P energy: -116.029
tors. eta vs tors. theta energy: -196.282
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: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1911.382399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.382399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.382399 (E_RNA)
where:
Base-Base interactions energy: -1199.082
where: short stacking energy: -552.995
Base-Backbone interact. energy: -0.624
local terms energy: -711.676481
where:
bonds (distance) C4'-P energy: -163.266
bonds (distance) P-C4' energy: -170.839
flat angles C4'-P-C4' energy: -169.036
flat angles P-C4'-P energy: -84.548
tors. eta vs tors. theta energy: -123.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1366.364807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.364807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.364807 (E_RNA)
where:
Base-Base interactions energy: -797.017
where: short stacking energy: -356.651
Base-Backbone interact. energy: -1.460
local terms energy: -567.888592
where:
bonds (distance) C4'-P energy: -151.935
bonds (distance) P-C4' energy: -148.151
flat angles C4'-P-C4' energy: -149.332
flat angles P-C4'-P energy: -82.140
tors. eta vs tors. theta energy: -36.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1153.875796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.875796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.875796 (E_RNA)
where:
Base-Base interactions energy: -613.406
where: short stacking energy: -292.235
Base-Backbone interact. energy: -1.813
local terms energy: -538.656145
where:
bonds (distance) C4'-P energy: -143.017
bonds (distance) P-C4' energy: -142.669
flat angles C4'-P-C4' energy: -153.380
flat angles P-C4'-P energy: -83.781
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -842.221894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.221894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.221894 (E_RNA)
where:
Base-Base interactions energy: -417.735
where: short stacking energy: -234.024
Base-Backbone interact. energy: -5.733
local terms energy: -418.754562
where:
bonds (distance) C4'-P energy: -113.966
bonds (distance) P-C4' energy: -120.587
flat angles C4'-P-C4' energy: -132.867
flat angles P-C4'-P energy: -67.630
tors. eta vs tors. theta energy: 16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -3149.521946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3149.521946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3149.521946 (E_RNA)
where:
Base-Base interactions energy: -2227.944
where: short stacking energy: -882.923
Base-Backbone interact. energy: 2.332
local terms energy: -923.910691
where:
bonds (distance) C4'-P energy: -186.609
bonds (distance) P-C4' energy: -167.337
flat angles C4'-P-C4' energy: -187.852
flat angles P-C4'-P energy: -139.344
tors. eta vs tors. theta energy: -242.769
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: 430
Temperature: 0.950000
Total energy: -3012.323112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.323112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.323112 (E_RNA)
where:
Base-Base interactions energy: -2043.413
where: short stacking energy: -872.042
Base-Backbone interact. energy: 0.431
local terms energy: -969.340882
where:
bonds (distance) C4'-P energy: -176.658
bonds (distance) P-C4' energy: -194.323
flat angles C4'-P-C4' energy: -207.158
flat angles P-C4'-P energy: -119.618
tors. eta vs tors. theta energy: -271.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2872.675614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.675614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.675614 (E_RNA)
where:
Base-Base interactions energy: -1983.416
where: short stacking energy: -762.510
Base-Backbone interact. energy: -1.732
local terms energy: -887.527470
where:
bonds (distance) C4'-P energy: -167.930
bonds (distance) P-C4' energy: -182.696
flat angles C4'-P-C4' energy: -187.886
flat angles P-C4'-P energy: -128.026
tors. eta vs tors. theta energy: -220.990
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: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2655.279585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.279585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.279585 (E_RNA)
where:
Base-Base interactions energy: -1762.809
where: short stacking energy: -783.967
Base-Backbone interact. energy: -6.975
local terms energy: -885.495925
where:
bonds (distance) C4'-P energy: -171.543
bonds (distance) P-C4' energy: -153.442
flat angles C4'-P-C4' energy: -188.603
flat angles P-C4'-P energy: -146.302
tors. eta vs tors. theta energy: -225.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2476.572743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.572743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.572743 (E_RNA)
where:
Base-Base interactions energy: -1656.556
where: short stacking energy: -701.853
Base-Backbone interact. energy: -3.384
local terms energy: -816.632968
where:
bonds (distance) C4'-P energy: -165.187
bonds (distance) P-C4' energy: -158.848
flat angles C4'-P-C4' energy: -190.821
flat angles P-C4'-P energy: -111.382
tors. eta vs tors. theta energy: -190.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2354.584862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.584862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.584862 (E_RNA)
where:
Base-Base interactions energy: -1589.653
where: short stacking energy: -669.339
Base-Backbone interact. energy: -1.449
local terms energy: -763.482795
where:
bonds (distance) C4'-P energy: -130.330
bonds (distance) P-C4' energy: -163.709
flat angles C4'-P-C4' energy: -177.071
flat angles P-C4'-P energy: -107.893
tors. eta vs tors. theta energy: -184.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1929.076404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.076404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.076404 (E_RNA)
where:
Base-Base interactions energy: -1250.434
where: short stacking energy: -548.497
Base-Backbone interact. energy: 0.278
local terms energy: -678.920706
where:
bonds (distance) C4'-P energy: -159.988
bonds (distance) P-C4' energy: -142.141
flat angles C4'-P-C4' energy: -160.725
flat angles P-C4'-P energy: -103.278
tors. eta vs tors. theta energy: -112.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1341.166058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.166058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.166058 (E_RNA)
where:
Base-Base interactions energy: -795.248
where: short stacking energy: -398.910
Base-Backbone interact. energy: 3.096
local terms energy: -549.013937
where:
bonds (distance) C4'-P energy: -155.345
bonds (distance) P-C4' energy: -145.459
flat angles C4'-P-C4' energy: -124.103
flat angles P-C4'-P energy: -88.694
tors. eta vs tors. theta energy: -35.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1075.967289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.967289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.967289 (E_RNA)
where:
Base-Base interactions energy: -571.338
where: short stacking energy: -305.868
Base-Backbone interact. energy: 7.589
local terms energy: -512.218016
where:
bonds (distance) C4'-P energy: -146.012
bonds (distance) P-C4' energy: -155.917
flat angles C4'-P-C4' energy: -124.724
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -8.717
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: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -823.996807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.996807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.996807 (E_RNA)
where:
Base-Base interactions energy: -337.939
where: short stacking energy: -228.598
Base-Backbone interact. energy: 1.651
local terms energy: -487.708731
where:
bonds (distance) C4'-P energy: -131.568
bonds (distance) P-C4' energy: -149.979
flat angles C4'-P-C4' energy: -124.040
flat angles P-C4'-P energy: -89.764
tors. eta vs tors. theta energy: 7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -3113.298133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3113.298133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3113.298133 (E_RNA)
where:
Base-Base interactions energy: -2165.418
where: short stacking energy: -828.430
Base-Backbone interact. energy: -5.593
local terms energy: -942.286805
where:
bonds (distance) C4'-P energy: -174.931
bonds (distance) P-C4' energy: -191.244
flat angles C4'-P-C4' energy: -197.083
flat angles P-C4'-P energy: -131.485
tors. eta vs tors. theta energy: -247.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -3016.348240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.348240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.348240 (E_RNA)
where:
Base-Base interactions energy: -2054.336
where: short stacking energy: -861.242
Base-Backbone interact. energy: -4.102
local terms energy: -957.910871
where:
bonds (distance) C4'-P energy: -171.931
bonds (distance) P-C4' energy: -184.179
flat angles C4'-P-C4' energy: -199.280
flat angles P-C4'-P energy: -141.879
tors. eta vs tors. theta energy: -260.642
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2864.768197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.768197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.768197 (E_RNA)
where:
Base-Base interactions energy: -1979.608
where: short stacking energy: -801.262
Base-Backbone interact. energy: -3.745
local terms energy: -881.415065
where:
bonds (distance) C4'-P energy: -163.741
bonds (distance) P-C4' energy: -173.497
flat angles C4'-P-C4' energy: -194.661
flat angles P-C4'-P energy: -110.812
tors. eta vs tors. theta energy: -238.705
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: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2683.839246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.839246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.839246 (E_RNA)
where:
Base-Base interactions energy: -1819.638
where: short stacking energy: -767.482
Base-Backbone interact. energy: -3.925
local terms energy: -860.276484
where:
bonds (distance) C4'-P energy: -153.861
bonds (distance) P-C4' energy: -151.436
flat angles C4'-P-C4' energy: -179.051
flat angles P-C4'-P energy: -141.467
tors. eta vs tors. theta energy: -234.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2467.350489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.350489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.350489 (E_RNA)
where:
Base-Base interactions energy: -1678.720
where: short stacking energy: -706.356
Base-Backbone interact. energy: 0.229
local terms energy: -788.859302
where:
bonds (distance) C4'-P energy: -148.707
bonds (distance) P-C4' energy: -155.905
flat angles C4'-P-C4' energy: -181.665
flat angles P-C4'-P energy: -110.355
tors. eta vs tors. theta energy: -192.228
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: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2419.394454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.394454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.394454 (E_RNA)
where:
Base-Base interactions energy: -1610.594
where: short stacking energy: -706.407
Base-Backbone interact. energy: -3.056
local terms energy: -805.744617
where:
bonds (distance) C4'-P energy: -157.248
bonds (distance) P-C4' energy: -182.326
flat angles C4'-P-C4' energy: -156.396
flat angles P-C4'-P energy: -116.514
tors. eta vs tors. theta energy: -193.259
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: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2008.643115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.643115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.643115 (E_RNA)
where:
Base-Base interactions energy: -1335.879
where: short stacking energy: -574.505
Base-Backbone interact. energy: 6.699
local terms energy: -679.463346
where:
bonds (distance) C4'-P energy: -145.635
bonds (distance) P-C4' energy: -142.515
flat angles C4'-P-C4' energy: -170.315
flat angles P-C4'-P energy: -101.965
tors. eta vs tors. theta energy: -119.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1342.622055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.622055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.622055 (E_RNA)
where:
Base-Base interactions energy: -756.505
where: short stacking energy: -388.648
Base-Backbone interact. energy: 2.113
local terms energy: -588.230493
where:
bonds (distance) C4'-P energy: -170.838
bonds (distance) P-C4' energy: -144.990
flat angles C4'-P-C4' energy: -129.542
flat angles P-C4'-P energy: -99.529
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1065.227740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.227740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.227740 (E_RNA)
where:
Base-Base interactions energy: -580.564
where: short stacking energy: -294.788
Base-Backbone interact. energy: 0.818
local terms energy: -485.482206
where:
bonds (distance) C4'-P energy: -123.684
bonds (distance) P-C4' energy: -144.470
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -84.444
tors. eta vs tors. theta energy: 29.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -787.388857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.388857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.388857 (E_RNA)
where:
Base-Base interactions energy: -364.556
where: short stacking energy: -229.570
Base-Backbone interact. energy: -2.065
local terms energy: -420.767943
where:
bonds (distance) C4'-P energy: -122.874
bonds (distance) P-C4' energy: -122.841
flat angles C4'-P-C4' energy: -113.017
flat angles P-C4'-P energy: -84.462
tors. eta vs tors. theta energy: 22.426
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: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -3126.218042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3126.218042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3126.218042 (E_RNA)
where:
Base-Base interactions energy: -2232.118
where: short stacking energy: -861.666
Base-Backbone interact. energy: -3.513
local terms energy: -890.587350
where:
bonds (distance) C4'-P energy: -164.945
bonds (distance) P-C4' energy: -173.647
flat angles C4'-P-C4' energy: -193.293
flat angles P-C4'-P energy: -127.320
tors. eta vs tors. theta energy: -231.382
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: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2974.256921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.256921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.256921 (E_RNA)
where:
Base-Base interactions energy: -2040.242
where: short stacking energy: -833.174
Base-Backbone interact. energy: 1.722
local terms energy: -935.737633
where:
bonds (distance) C4'-P energy: -163.683
bonds (distance) P-C4' energy: -171.061
flat angles C4'-P-C4' energy: -182.215
flat angles P-C4'-P energy: -152.350
tors. eta vs tors. theta energy: -266.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2857.191282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.191282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.191282 (E_RNA)
where:
Base-Base interactions energy: -1974.678
where: short stacking energy: -811.367
Base-Backbone interact. energy: -3.016
local terms energy: -879.496866
where:
bonds (distance) C4'-P energy: -159.945
bonds (distance) P-C4' energy: -164.839
flat angles C4'-P-C4' energy: -186.218
flat angles P-C4'-P energy: -135.777
tors. eta vs tors. theta energy: -232.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2698.011430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.011430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.011430 (E_RNA)
where:
Base-Base interactions energy: -1819.564
where: short stacking energy: -780.931
Base-Backbone interact. energy: -2.025
local terms energy: -876.422624
where:
bonds (distance) C4'-P energy: -144.921
bonds (distance) P-C4' energy: -173.673
flat angles C4'-P-C4' energy: -183.285
flat angles P-C4'-P energy: -146.939
tors. eta vs tors. theta energy: -227.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2454.122830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.122830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.122830 (E_RNA)
where:
Base-Base interactions energy: -1653.014
where: short stacking energy: -725.142
Base-Backbone interact. energy: 2.414
local terms energy: -803.521880
where:
bonds (distance) C4'-P energy: -154.559
bonds (distance) P-C4' energy: -169.552
flat angles C4'-P-C4' energy: -166.282
flat angles P-C4'-P energy: -115.359
tors. eta vs tors. theta energy: -197.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2356.683057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.683057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.683057 (E_RNA)
where:
Base-Base interactions energy: -1570.208
where: short stacking energy: -694.607
Base-Backbone interact. energy: -4.252
local terms energy: -782.223353
where:
bonds (distance) C4'-P energy: -144.934
bonds (distance) P-C4' energy: -164.838
flat angles C4'-P-C4' energy: -182.061
flat angles P-C4'-P energy: -98.968
tors. eta vs tors. theta energy: -191.423
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: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1906.804504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.804504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.804504 (E_RNA)
where:
Base-Base interactions energy: -1230.181
where: short stacking energy: -538.810
Base-Backbone interact. energy: -0.582
local terms energy: -676.040937
where:
bonds (distance) C4'-P energy: -133.125
bonds (distance) P-C4' energy: -167.248
flat angles C4'-P-C4' energy: -150.572
flat angles P-C4'-P energy: -106.875
tors. eta vs tors. theta energy: -118.220
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: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1411.228513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.228513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.228513 (E_RNA)
where:
Base-Base interactions energy: -834.655
where: short stacking energy: -423.470
Base-Backbone interact. energy: -1.269
local terms energy: -575.304990
where:
bonds (distance) C4'-P energy: -140.860
bonds (distance) P-C4' energy: -157.090
flat angles C4'-P-C4' energy: -136.285
flat angles P-C4'-P energy: -100.233
tors. eta vs tors. theta energy: -40.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1103.497341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.497341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.497341 (E_RNA)
where:
Base-Base interactions energy: -623.190
where: short stacking energy: -343.141
Base-Backbone interact. energy: 0.479
local terms energy: -480.786218
where:
bonds (distance) C4'-P energy: -134.932
bonds (distance) P-C4' energy: -142.011
flat angles C4'-P-C4' energy: -120.541
flat angles P-C4'-P energy: -60.768
tors. eta vs tors. theta energy: -22.535
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: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -909.492200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.492200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.492200 (E_RNA)
where:
Base-Base interactions energy: -431.694
where: short stacking energy: -238.495
Base-Backbone interact. energy: -0.712
local terms energy: -477.085325
where:
bonds (distance) C4'-P energy: -141.420
bonds (distance) P-C4' energy: -138.024
flat angles C4'-P-C4' energy: -138.540
flat angles P-C4'-P energy: -75.321
tors. eta vs tors. theta energy: 16.220
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: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -3151.353011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3151.353011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3151.353011 (E_RNA)
where:
Base-Base interactions energy: -2201.010
where: short stacking energy: -859.969
Base-Backbone interact. energy: -4.902
local terms energy: -945.441164
where:
bonds (distance) C4'-P energy: -165.180
bonds (distance) P-C4' energy: -177.272
flat angles C4'-P-C4' energy: -208.192
flat angles P-C4'-P energy: -142.327
tors. eta vs tors. theta energy: -252.470
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2977.257000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.257000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.257000 (E_RNA)
where:
Base-Base interactions energy: -1978.038
where: short stacking energy: -850.509
Base-Backbone interact. energy: -4.505
local terms energy: -994.714486
where:
bonds (distance) C4'-P energy: -171.670
bonds (distance) P-C4' energy: -195.918
flat angles C4'-P-C4' energy: -204.728
flat angles P-C4'-P energy: -143.611
tors. eta vs tors. theta energy: -278.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2826.692127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.692127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.692127 (E_RNA)
where:
Base-Base interactions energy: -2002.582
where: short stacking energy: -831.463
Base-Backbone interact. energy: 3.286
local terms energy: -827.396266
where:
bonds (distance) C4'-P energy: -147.544
bonds (distance) P-C4' energy: -147.928
flat angles C4'-P-C4' energy: -177.184
flat angles P-C4'-P energy: -126.636
tors. eta vs tors. theta energy: -228.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2669.237199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.237199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.237199 (E_RNA)
where:
Base-Base interactions energy: -1799.759
where: short stacking energy: -806.714
Base-Backbone interact. energy: -0.881
local terms energy: -868.597537
where:
bonds (distance) C4'-P energy: -164.868
bonds (distance) P-C4' energy: -160.298
flat angles C4'-P-C4' energy: -183.638
flat angles P-C4'-P energy: -111.856
tors. eta vs tors. theta energy: -247.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2491.790623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.790623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.790623 (E_RNA)
where:
Base-Base interactions energy: -1692.117
where: short stacking energy: -737.881
Base-Backbone interact. energy: 2.993
local terms energy: -802.666331
where:
bonds (distance) C4'-P energy: -142.454
bonds (distance) P-C4' energy: -170.786
flat angles C4'-P-C4' energy: -173.621
flat angles P-C4'-P energy: -118.474
tors. eta vs tors. theta energy: -197.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2331.499530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.499530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.499530 (E_RNA)
where:
Base-Base interactions energy: -1558.312
where: short stacking energy: -706.940
Base-Backbone interact. energy: -1.363
local terms energy: -771.824271
where:
bonds (distance) C4'-P energy: -144.239
bonds (distance) P-C4' energy: -165.713
flat angles C4'-P-C4' energy: -172.653
flat angles P-C4'-P energy: -109.634
tors. eta vs tors. theta energy: -179.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1907.284723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.284723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.284723 (E_RNA)
where:
Base-Base interactions energy: -1251.335
where: short stacking energy: -594.601
Base-Backbone interact. energy: -1.136
local terms energy: -654.813951
where:
bonds (distance) C4'-P energy: -139.449
bonds (distance) P-C4' energy: -129.280
flat angles C4'-P-C4' energy: -157.822
flat angles P-C4'-P energy: -90.870
tors. eta vs tors. theta energy: -137.393
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: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1366.016095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.016095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.016095 (E_RNA)
where:
Base-Base interactions energy: -821.795
where: short stacking energy: -428.062
Base-Backbone interact. energy: 1.603
local terms energy: -545.823410
where:
bonds (distance) C4'-P energy: -135.615
bonds (distance) P-C4' energy: -144.791
flat angles C4'-P-C4' energy: -136.692
flat angles P-C4'-P energy: -84.688
tors. eta vs tors. theta energy: -44.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1166.677886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.677886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.677886 (E_RNA)
where:
Base-Base interactions energy: -617.144
where: short stacking energy: -307.746
Base-Backbone interact. energy: -1.058
local terms energy: -548.475128
where:
bonds (distance) C4'-P energy: -124.481
bonds (distance) P-C4' energy: -152.076
flat angles C4'-P-C4' energy: -158.444
flat angles P-C4'-P energy: -82.127
tors. eta vs tors. theta energy: -31.347
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: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -806.321956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.321956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.321956 (E_RNA)
where:
Base-Base interactions energy: -354.672
where: short stacking energy: -206.908
Base-Backbone interact. energy: 10.937
local terms energy: -462.587008
where:
bonds (distance) C4'-P energy: -153.136
bonds (distance) P-C4' energy: -162.133
flat angles C4'-P-C4' energy: -111.548
flat angles P-C4'-P energy: -66.682
tors. eta vs tors. theta energy: 30.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -3139.893228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3139.893228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3139.893228 (E_RNA)
where:
Base-Base interactions energy: -2223.835
where: short stacking energy: -889.574
Base-Backbone interact. energy: -3.408
local terms energy: -912.649720
where:
bonds (distance) C4'-P energy: -160.545
bonds (distance) P-C4' energy: -167.264
flat angles C4'-P-C4' energy: -210.308
flat angles P-C4'-P energy: -130.993
tors. eta vs tors. theta energy: -243.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -3012.571025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.571025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.571025 (E_RNA)
where:
Base-Base interactions energy: -2065.239
where: short stacking energy: -903.394
Base-Backbone interact. energy: -3.275
local terms energy: -944.057474
where:
bonds (distance) C4'-P energy: -162.031
bonds (distance) P-C4' energy: -163.979
flat angles C4'-P-C4' energy: -200.173
flat angles P-C4'-P energy: -132.807
tors. eta vs tors. theta energy: -285.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2814.297350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.297350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.297350 (E_RNA)
where:
Base-Base interactions energy: -1915.179
where: short stacking energy: -764.633
Base-Backbone interact. energy: -4.161
local terms energy: -894.957202
where:
bonds (distance) C4'-P energy: -164.497
bonds (distance) P-C4' energy: -171.777
flat angles C4'-P-C4' energy: -199.629
flat angles P-C4'-P energy: -130.217
tors. eta vs tors. theta energy: -228.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2713.265839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.265839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.265839 (E_RNA)
where:
Base-Base interactions energy: -1850.318
where: short stacking energy: -820.424
Base-Backbone interact. energy: -1.800
local terms energy: -861.147679
where:
bonds (distance) C4'-P energy: -154.922
bonds (distance) P-C4' energy: -155.903
flat angles C4'-P-C4' energy: -198.616
flat angles P-C4'-P energy: -114.629
tors. eta vs tors. theta energy: -237.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2507.913899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.913899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.913899 (E_RNA)
where:
Base-Base interactions energy: -1677.465
where: short stacking energy: -711.791
Base-Backbone interact. energy: -4.778
local terms energy: -825.671023
where:
bonds (distance) C4'-P energy: -162.326
bonds (distance) P-C4' energy: -165.959
flat angles C4'-P-C4' energy: -174.060
flat angles P-C4'-P energy: -115.036
tors. eta vs tors. theta energy: -208.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2274.137683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.137683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.137683 (E_RNA)
where:
Base-Base interactions energy: -1490.154
where: short stacking energy: -675.533
Base-Backbone interact. energy: -0.819
local terms energy: -783.164301
where:
bonds (distance) C4'-P energy: -161.181
bonds (distance) P-C4' energy: -152.413
flat angles C4'-P-C4' energy: -175.653
flat angles P-C4'-P energy: -102.584
tors. eta vs tors. theta energy: -191.333
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: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1913.627042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.627042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.627042 (E_RNA)
where:
Base-Base interactions energy: -1205.753
where: short stacking energy: -522.240
Base-Backbone interact. energy: -4.966
local terms energy: -702.908076
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -161.013
flat angles C4'-P-C4' energy: -174.362
flat angles P-C4'-P energy: -110.521
tors. eta vs tors. theta energy: -125.555
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: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1376.734260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.734260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.734260 (E_RNA)
where:
Base-Base interactions energy: -803.177
where: short stacking energy: -421.853
Base-Backbone interact. energy: 0.051
local terms energy: -573.608320
where:
bonds (distance) C4'-P energy: -136.305
bonds (distance) P-C4' energy: -161.383
flat angles C4'-P-C4' energy: -155.232
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -41.380
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: 434
Temperature: 1.300000
Total energy: -1117.229743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.229743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.229743 (E_RNA)
where:
Base-Base interactions energy: -594.316
where: short stacking energy: -325.524
Base-Backbone interact. energy: 2.717
local terms energy: -525.630803
where:
bonds (distance) C4'-P energy: -143.435
bonds (distance) P-C4' energy: -154.500
flat angles C4'-P-C4' energy: -145.661
flat angles P-C4'-P energy: -67.937
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -772.127293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.127293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.127293 (E_RNA)
where:
Base-Base interactions energy: -311.151
where: short stacking energy: -190.558
Base-Backbone interact. energy: 1.307
local terms energy: -462.283040
where:
bonds (distance) C4'-P energy: -136.983
bonds (distance) P-C4' energy: -160.340
flat angles C4'-P-C4' energy: -122.188
flat angles P-C4'-P energy: -64.218
tors. eta vs tors. theta energy: 21.446
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: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -3140.741867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3140.741867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3140.741867 (E_RNA)
where:
Base-Base interactions energy: -2177.263
where: short stacking energy: -852.407
Base-Backbone interact. energy: -5.419
local terms energy: -958.060001
where:
bonds (distance) C4'-P energy: -175.075
bonds (distance) P-C4' energy: -196.911
flat angles C4'-P-C4' energy: -197.776
flat angles P-C4'-P energy: -132.592
tors. eta vs tors. theta energy: -255.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -3056.860745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.860745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.860745 (E_RNA)
where:
Base-Base interactions energy: -2081.413
where: short stacking energy: -899.847
Base-Backbone interact. energy: -6.749
local terms energy: -968.698838
where:
bonds (distance) C4'-P energy: -171.467
bonds (distance) P-C4' energy: -176.732
flat angles C4'-P-C4' energy: -203.230
flat angles P-C4'-P energy: -133.972
tors. eta vs tors. theta energy: -283.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2830.337181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.337181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.337181 (E_RNA)
where:
Base-Base interactions energy: -1948.038
where: short stacking energy: -795.806
Base-Backbone interact. energy: -0.712
local terms energy: -881.587518
where:
bonds (distance) C4'-P energy: -161.431
bonds (distance) P-C4' energy: -169.657
flat angles C4'-P-C4' energy: -196.276
flat angles P-C4'-P energy: -120.125
tors. eta vs tors. theta energy: -234.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2731.301794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.301794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.301794 (E_RNA)
where:
Base-Base interactions energy: -1826.693
where: short stacking energy: -782.354
Base-Backbone interact. energy: -2.619
local terms energy: -901.989178
where:
bonds (distance) C4'-P energy: -171.673
bonds (distance) P-C4' energy: -173.582
flat angles C4'-P-C4' energy: -193.508
flat angles P-C4'-P energy: -132.466
tors. eta vs tors. theta energy: -230.759
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: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2520.614428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.614428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.614428 (E_RNA)
where:
Base-Base interactions energy: -1708.140
where: short stacking energy: -714.331
Base-Backbone interact. energy: -3.145
local terms energy: -809.329095
where:
bonds (distance) C4'-P energy: -158.919
bonds (distance) P-C4' energy: -165.992
flat angles C4'-P-C4' energy: -183.904
flat angles P-C4'-P energy: -108.620
tors. eta vs tors. theta energy: -191.895
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: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2357.004289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.004289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.004289 (E_RNA)
where:
Base-Base interactions energy: -1605.199
where: short stacking energy: -681.274
Base-Backbone interact. energy: -0.809
local terms energy: -750.996304
where:
bonds (distance) C4'-P energy: -140.113
bonds (distance) P-C4' energy: -161.342
flat angles C4'-P-C4' energy: -171.510
flat angles P-C4'-P energy: -112.421
tors. eta vs tors. theta energy: -165.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1878.276153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.276153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.276153 (E_RNA)
where:
Base-Base interactions energy: -1215.491
where: short stacking energy: -559.009
Base-Backbone interact. energy: -1.205
local terms energy: -661.580524
where:
bonds (distance) C4'-P energy: -157.078
bonds (distance) P-C4' energy: -161.836
flat angles C4'-P-C4' energy: -142.818
flat angles P-C4'-P energy: -85.525
tors. eta vs tors. theta energy: -114.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1432.494836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.494836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.494836 (E_RNA)
where:
Base-Base interactions energy: -813.576
where: short stacking energy: -406.918
Base-Backbone interact. energy: -1.583
local terms energy: -617.335388
where:
bonds (distance) C4'-P energy: -148.912
bonds (distance) P-C4' energy: -167.843
flat angles C4'-P-C4' energy: -138.923
flat angles P-C4'-P energy: -95.561
tors. eta vs tors. theta energy: -66.096
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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1081.840401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.840401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.840401 (E_RNA)
where:
Base-Base interactions energy: -572.717
where: short stacking energy: -277.458
Base-Backbone interact. energy: 7.568
local terms energy: -516.691884
where:
bonds (distance) C4'-P energy: -136.247
bonds (distance) P-C4' energy: -153.773
flat angles C4'-P-C4' energy: -128.965
flat angles P-C4'-P energy: -85.832
tors. eta vs tors. theta energy: -11.875
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: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -694.894198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.894198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.894198 (E_RNA)
where:
Base-Base interactions energy: -233.684
where: short stacking energy: -184.397
Base-Backbone interact. energy: -0.272
local terms energy: -460.937493
where:
bonds (distance) C4'-P energy: -143.524
bonds (distance) P-C4' energy: -155.471
flat angles C4'-P-C4' energy: -109.142
flat angles P-C4'-P energy: -71.468
tors. eta vs tors. theta energy: 18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -3172.399269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3172.399269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3172.399269 (E_RNA)
where:
Base-Base interactions energy: -2185.669
where: short stacking energy: -893.790
Base-Backbone interact. energy: 1.365
local terms energy: -988.095299
where:
bonds (distance) C4'-P energy: -180.883
bonds (distance) P-C4' energy: -186.643
flat angles C4'-P-C4' energy: -221.708
flat angles P-C4'-P energy: -138.457
tors. eta vs tors. theta energy: -260.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -3011.115681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.115681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.115681 (E_RNA)
where:
Base-Base interactions energy: -2031.927
where: short stacking energy: -881.606
Base-Backbone interact. energy: -6.041
local terms energy: -973.147479
where:
bonds (distance) C4'-P energy: -181.705
bonds (distance) P-C4' energy: -180.018
flat angles C4'-P-C4' energy: -193.221
flat angles P-C4'-P energy: -147.616
tors. eta vs tors. theta energy: -270.587
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: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2878.280290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.280290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.280290 (E_RNA)
where:
Base-Base interactions energy: -1986.580
where: short stacking energy: -836.445
Base-Backbone interact. energy: -2.408
local terms energy: -889.292882
where:
bonds (distance) C4'-P energy: -152.769
bonds (distance) P-C4' energy: -187.321
flat angles C4'-P-C4' energy: -204.053
flat angles P-C4'-P energy: -105.597
tors. eta vs tors. theta energy: -239.553
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: 436
Temperature: 1.050000
Total energy: -2662.424450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.424450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.424450 (E_RNA)
where:
Base-Base interactions energy: -1786.812
where: short stacking energy: -770.272
Base-Backbone interact. energy: -2.337
local terms energy: -873.276213
where:
bonds (distance) C4'-P energy: -147.608
bonds (distance) P-C4' energy: -174.102
flat angles C4'-P-C4' energy: -199.818
flat angles P-C4'-P energy: -124.603
tors. eta vs tors. theta energy: -227.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2517.238627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.238627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.238627 (E_RNA)
where:
Base-Base interactions energy: -1685.198
where: short stacking energy: -707.545
Base-Backbone interact. energy: -0.634
local terms energy: -831.405975
where:
bonds (distance) C4'-P energy: -160.087
bonds (distance) P-C4' energy: -165.504
flat angles C4'-P-C4' energy: -186.793
flat angles P-C4'-P energy: -122.617
tors. eta vs tors. theta energy: -196.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2361.797116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.797116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.797116 (E_RNA)
where:
Base-Base interactions energy: -1552.471
where: short stacking energy: -670.005
Base-Backbone interact. energy: -2.793
local terms energy: -806.533401
where:
bonds (distance) C4'-P energy: -145.059
bonds (distance) P-C4' energy: -164.192
flat angles C4'-P-C4' energy: -189.764
flat angles P-C4'-P energy: -113.615
tors. eta vs tors. theta energy: -193.904
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: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1865.187960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.187960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.187960 (E_RNA)
where:
Base-Base interactions energy: -1185.576
where: short stacking energy: -526.520
Base-Backbone interact. energy: -2.421
local terms energy: -677.191190
where:
bonds (distance) C4'-P energy: -146.725
bonds (distance) P-C4' energy: -167.876
flat angles C4'-P-C4' energy: -160.427
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -109.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1477.962478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.962478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.962478 (E_RNA)
where:
Base-Base interactions energy: -902.055
where: short stacking energy: -431.534
Base-Backbone interact. energy: -0.007
local terms energy: -575.900181
where:
bonds (distance) C4'-P energy: -135.432
bonds (distance) P-C4' energy: -143.220
flat angles C4'-P-C4' energy: -157.310
flat angles P-C4'-P energy: -85.269
tors. eta vs tors. theta energy: -54.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1049.299262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.299262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.299262 (E_RNA)
where:
Base-Base interactions energy: -529.950
where: short stacking energy: -265.786
Base-Backbone interact. energy: 7.039
local terms energy: -526.387595
where:
bonds (distance) C4'-P energy: -152.772
bonds (distance) P-C4' energy: -144.537
flat angles C4'-P-C4' energy: -137.625
flat angles P-C4'-P energy: -82.838
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -762.295743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.295743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.295743 (E_RNA)
where:
Base-Base interactions energy: -296.132
where: short stacking energy: -181.497
Base-Backbone interact. energy: 2.916
local terms energy: -469.079758
where:
bonds (distance) C4'-P energy: -133.467
bonds (distance) P-C4' energy: -157.185
flat angles C4'-P-C4' energy: -122.322
flat angles P-C4'-P energy: -94.829
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: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -3173.280772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3173.280772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3173.280772 (E_RNA)
where:
Base-Base interactions energy: -2231.006
where: short stacking energy: -916.739
Base-Backbone interact. energy: -4.147
local terms energy: -938.126999
where:
bonds (distance) C4'-P energy: -162.531
bonds (distance) P-C4' energy: -181.761
flat angles C4'-P-C4' energy: -210.248
flat angles P-C4'-P energy: -121.645
tors. eta vs tors. theta energy: -261.941
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: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -3054.236348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3054.236348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3054.236348 (E_RNA)
where:
Base-Base interactions energy: -2088.892
where: short stacking energy: -871.416
Base-Backbone interact. energy: -3.641
local terms energy: -961.703611
where:
bonds (distance) C4'-P energy: -172.323
bonds (distance) P-C4' energy: -188.893
flat angles C4'-P-C4' energy: -194.229
flat angles P-C4'-P energy: -132.185
tors. eta vs tors. theta energy: -274.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2832.424355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.424355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.424355 (E_RNA)
where:
Base-Base interactions energy: -1952.042
where: short stacking energy: -828.209
Base-Backbone interact. energy: 2.370
local terms energy: -882.752390
where:
bonds (distance) C4'-P energy: -143.989
bonds (distance) P-C4' energy: -179.833
flat angles C4'-P-C4' energy: -186.942
flat angles P-C4'-P energy: -131.968
tors. eta vs tors. theta energy: -240.021
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: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2650.189569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.189569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.189569 (E_RNA)
where:
Base-Base interactions energy: -1772.894
where: short stacking energy: -799.250
Base-Backbone interact. energy: -3.777
local terms energy: -873.518067
where:
bonds (distance) C4'-P energy: -157.819
bonds (distance) P-C4' energy: -170.125
flat angles C4'-P-C4' energy: -197.901
flat angles P-C4'-P energy: -108.812
tors. eta vs tors. theta energy: -238.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2523.752630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.752630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.752630 (E_RNA)
where:
Base-Base interactions energy: -1715.253
where: short stacking energy: -736.085
Base-Backbone interact. energy: -3.192
local terms energy: -805.307669
where:
bonds (distance) C4'-P energy: -139.420
bonds (distance) P-C4' energy: -166.212
flat angles C4'-P-C4' energy: -180.304
flat angles P-C4'-P energy: -117.741
tors. eta vs tors. theta energy: -201.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2361.660668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.660668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.660668 (E_RNA)
where:
Base-Base interactions energy: -1554.446
where: short stacking energy: -680.271
Base-Backbone interact. energy: -2.892
local terms energy: -804.322244
where:
bonds (distance) C4'-P energy: -173.843
bonds (distance) P-C4' energy: -147.550
flat angles C4'-P-C4' energy: -172.050
flat angles P-C4'-P energy: -124.910
tors. eta vs tors. theta energy: -185.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1918.713026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.713026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.713026 (E_RNA)
where:
Base-Base interactions energy: -1241.458
where: short stacking energy: -571.093
Base-Backbone interact. energy: -0.625
local terms energy: -676.630334
where:
bonds (distance) C4'-P energy: -124.702
bonds (distance) P-C4' energy: -167.797
flat angles C4'-P-C4' energy: -158.626
flat angles P-C4'-P energy: -104.034
tors. eta vs tors. theta energy: -121.471
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: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1533.709396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.709396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.709396 (E_RNA)
where:
Base-Base interactions energy: -953.801
where: short stacking energy: -446.869
Base-Backbone interact. energy: 2.196
local terms energy: -582.104297
where:
bonds (distance) C4'-P energy: -128.916
bonds (distance) P-C4' energy: -159.976
flat angles C4'-P-C4' energy: -148.296
flat angles P-C4'-P energy: -80.802
tors. eta vs tors. theta energy: -64.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1080.624551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.624551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.624551 (E_RNA)
where:
Base-Base interactions energy: -560.424
where: short stacking energy: -304.358
Base-Backbone interact. energy: -0.567
local terms energy: -519.634282
where:
bonds (distance) C4'-P energy: -141.135
bonds (distance) P-C4' energy: -174.535
flat angles C4'-P-C4' energy: -124.032
flat angles P-C4'-P energy: -78.337
tors. eta vs tors. theta energy: -1.595
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: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -734.610076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.610076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.610076 (E_RNA)
where:
Base-Base interactions energy: -293.542
where: short stacking energy: -172.319
Base-Backbone interact. energy: -2.832
local terms energy: -438.236077
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -163.019
flat angles C4'-P-C4' energy: -130.692
flat angles P-C4'-P energy: -72.010
tors. eta vs tors. theta energy: 45.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -3175.989789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3175.989789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3175.989789 (E_RNA)
where:
Base-Base interactions energy: -2207.887
where: short stacking energy: -865.137
Base-Backbone interact. energy: -4.729
local terms energy: -963.373667
where:
bonds (distance) C4'-P energy: -178.672
bonds (distance) P-C4' energy: -180.192
flat angles C4'-P-C4' energy: -209.513
flat angles P-C4'-P energy: -133.982
tors. eta vs tors. theta energy: -261.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -3013.159220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.159220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.159220 (E_RNA)
where:
Base-Base interactions energy: -2063.516
where: short stacking energy: -868.929
Base-Backbone interact. energy: -6.230
local terms energy: -943.413563
where:
bonds (distance) C4'-P energy: -165.177
bonds (distance) P-C4' energy: -176.922
flat angles C4'-P-C4' energy: -215.960
flat angles P-C4'-P energy: -115.171
tors. eta vs tors. theta energy: -270.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2863.269208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.269208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.269208 (E_RNA)
where:
Base-Base interactions energy: -1992.602
where: short stacking energy: -826.331
Base-Backbone interact. energy: -1.828
local terms energy: -868.839440
where:
bonds (distance) C4'-P energy: -162.230
bonds (distance) P-C4' energy: -157.713
flat angles C4'-P-C4' energy: -192.943
flat angles P-C4'-P energy: -116.074
tors. eta vs tors. theta energy: -239.880
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2675.379393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.379393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.379393 (E_RNA)
where:
Base-Base interactions energy: -1806.417
where: short stacking energy: -819.562
Base-Backbone interact. energy: 3.326
local terms energy: -872.288819
where:
bonds (distance) C4'-P energy: -165.366
bonds (distance) P-C4' energy: -154.396
flat angles C4'-P-C4' energy: -177.948
flat angles P-C4'-P energy: -128.280
tors. eta vs tors. theta energy: -246.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2548.129063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.129063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.129063 (E_RNA)
where:
Base-Base interactions energy: -1716.614
where: short stacking energy: -708.466
Base-Backbone interact. energy: -2.845
local terms energy: -828.670020
where:
bonds (distance) C4'-P energy: -156.820
bonds (distance) P-C4' energy: -162.055
flat angles C4'-P-C4' energy: -183.677
flat angles P-C4'-P energy: -129.001
tors. eta vs tors. theta energy: -197.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2303.831695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.831695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.831695 (E_RNA)
where:
Base-Base interactions energy: -1514.828
where: short stacking energy: -671.212
Base-Backbone interact. energy: -3.291
local terms energy: -785.712563
where:
bonds (distance) C4'-P energy: -150.832
bonds (distance) P-C4' energy: -153.494
flat angles C4'-P-C4' energy: -178.318
flat angles P-C4'-P energy: -112.040
tors. eta vs tors. theta energy: -191.028
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: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1937.158863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.158863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.158863 (E_RNA)
where:
Base-Base interactions energy: -1275.877
where: short stacking energy: -583.543
Base-Backbone interact. energy: -2.511
local terms energy: -658.770307
where:
bonds (distance) C4'-P energy: -127.595
bonds (distance) P-C4' energy: -159.193
flat angles C4'-P-C4' energy: -154.536
flat angles P-C4'-P energy: -84.947
tors. eta vs tors. theta energy: -132.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1518.691014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.691014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.691014 (E_RNA)
where:
Base-Base interactions energy: -910.635
where: short stacking energy: -416.264
Base-Backbone interact. energy: 1.491
local terms energy: -609.547293
where:
bonds (distance) C4'-P energy: -158.465
bonds (distance) P-C4' energy: -147.926
flat angles C4'-P-C4' energy: -132.304
flat angles P-C4'-P energy: -96.930
tors. eta vs tors. theta energy: -73.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1062.854187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.854187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.854187 (E_RNA)
where:
Base-Base interactions energy: -575.307
where: short stacking energy: -294.159
Base-Backbone interact. energy: 1.560
local terms energy: -489.107412
where:
bonds (distance) C4'-P energy: -142.541
bonds (distance) P-C4' energy: -144.543
flat angles C4'-P-C4' energy: -134.310
flat angles P-C4'-P energy: -81.504
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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -734.738867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.738867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.738867 (E_RNA)
where:
Base-Base interactions energy: -288.458
where: short stacking energy: -227.280
Base-Backbone interact. energy: 2.292
local terms energy: -448.573379
where:
bonds (distance) C4'-P energy: -148.177
bonds (distance) P-C4' energy: -131.314
flat angles C4'-P-C4' energy: -108.912
flat angles P-C4'-P energy: -83.449
tors. eta vs tors. theta energy: 23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -3193.584700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3193.584700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3193.584700 (E_RNA)
where:
Base-Base interactions energy: -2252.584
where: short stacking energy: -918.486
Base-Backbone interact. energy: -2.112
local terms energy: -938.888275
where:
bonds (distance) C4'-P energy: -163.865
bonds (distance) P-C4' energy: -171.271
flat angles C4'-P-C4' energy: -209.580
flat angles P-C4'-P energy: -132.799
tors. eta vs tors. theta energy: -261.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2993.746060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.746060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.746060 (E_RNA)
where:
Base-Base interactions energy: -2044.454
where: short stacking energy: -891.589
Base-Backbone interact. energy: -3.961
local terms energy: -945.331602
where:
bonds (distance) C4'-P energy: -177.838
bonds (distance) P-C4' energy: -161.324
flat angles C4'-P-C4' energy: -213.928
flat angles P-C4'-P energy: -120.539
tors. eta vs tors. theta energy: -271.703
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: 439
Temperature: 1.000000
Total energy: -2842.427517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.427517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.427517 (E_RNA)
where:
Base-Base interactions energy: -1935.218
where: short stacking energy: -814.384
Base-Backbone interact. energy: -5.594
local terms energy: -901.615400
where:
bonds (distance) C4'-P energy: -163.015
bonds (distance) P-C4' energy: -165.452
flat angles C4'-P-C4' energy: -211.558
flat angles P-C4'-P energy: -123.534
tors. eta vs tors. theta energy: -238.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2648.118104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.118104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.118104 (E_RNA)
where:
Base-Base interactions energy: -1802.591
where: short stacking energy: -768.790
Base-Backbone interact. energy: -1.508
local terms energy: -844.019313
where:
bonds (distance) C4'-P energy: -152.318
bonds (distance) P-C4' energy: -145.007
flat angles C4'-P-C4' energy: -183.536
flat angles P-C4'-P energy: -138.695
tors. eta vs tors. theta energy: -224.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2472.626160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.626160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.626160 (E_RNA)
where:
Base-Base interactions energy: -1647.055
where: short stacking energy: -701.681
Base-Backbone interact. energy: -1.311
local terms energy: -824.259616
where:
bonds (distance) C4'-P energy: -164.606
bonds (distance) P-C4' energy: -172.127
flat angles C4'-P-C4' energy: -181.567
flat angles P-C4'-P energy: -109.434
tors. eta vs tors. theta energy: -196.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2281.948252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.948252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.948252 (E_RNA)
where:
Base-Base interactions energy: -1490.627
where: short stacking energy: -678.981
Base-Backbone interact. energy: -1.435
local terms energy: -789.886724
where:
bonds (distance) C4'-P energy: -161.746
bonds (distance) P-C4' energy: -161.607
flat angles C4'-P-C4' energy: -167.313
flat angles P-C4'-P energy: -116.616
tors. eta vs tors. theta energy: -182.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1872.680501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.680501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.680501 (E_RNA)
where:
Base-Base interactions energy: -1225.460
where: short stacking energy: -545.644
Base-Backbone interact. energy: -3.217
local terms energy: -644.003377
where:
bonds (distance) C4'-P energy: -138.131
bonds (distance) P-C4' energy: -137.678
flat angles C4'-P-C4' energy: -165.675
flat angles P-C4'-P energy: -74.765
tors. eta vs tors. theta energy: -127.755
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: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1465.938341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.938341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.938341 (E_RNA)
where:
Base-Base interactions energy: -914.848
where: short stacking energy: -411.342
Base-Backbone interact. energy: 0.445
local terms energy: -551.535216
where:
bonds (distance) C4'-P energy: -122.072
bonds (distance) P-C4' energy: -147.267
flat angles C4'-P-C4' energy: -138.026
flat angles P-C4'-P energy: -90.171
tors. eta vs tors. theta energy: -54.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1132.215976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.215976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.215976 (E_RNA)
where:
Base-Base interactions energy: -582.072
where: short stacking energy: -318.634
Base-Backbone interact. energy: 2.080
local terms energy: -552.223805
where:
bonds (distance) C4'-P energy: -145.378
bonds (distance) P-C4' energy: -167.581
flat angles C4'-P-C4' energy: -125.576
flat angles P-C4'-P energy: -82.570
tors. eta vs tors. theta energy: -31.119
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: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -711.516977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.516977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.516977 (E_RNA)
where:
Base-Base interactions energy: -274.882
where: short stacking energy: -191.753
Base-Backbone interact. energy: -0.114
local terms energy: -436.521074
where:
bonds (distance) C4'-P energy: -134.745
bonds (distance) P-C4' energy: -139.802
flat angles C4'-P-C4' energy: -128.038
flat angles P-C4'-P energy: -79.183
tors. eta vs tors. theta energy: 45.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -3141.563825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3141.563825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3141.563825 (E_RNA)
where:
Base-Base interactions energy: -2221.728
where: short stacking energy: -899.288
Base-Backbone interact. energy: -5.082
local terms energy: -914.754671
where:
bonds (distance) C4'-P energy: -159.682
bonds (distance) P-C4' energy: -163.587
flat angles C4'-P-C4' energy: -190.074
flat angles P-C4'-P energy: -141.211
tors. eta vs tors. theta energy: -260.201
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: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -3026.058299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.058299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.058299 (E_RNA)
where:
Base-Base interactions energy: -2081.954
where: short stacking energy: -894.017
Base-Backbone interact. energy: -7.884
local terms energy: -936.219961
where:
bonds (distance) C4'-P energy: -166.510
bonds (distance) P-C4' energy: -168.435
flat angles C4'-P-C4' energy: -187.780
flat angles P-C4'-P energy: -136.470
tors. eta vs tors. theta energy: -277.024
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: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2791.170019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.170019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.170019 (E_RNA)
where:
Base-Base interactions energy: -1912.812
where: short stacking energy: -776.902
Base-Backbone interact. energy: 3.800
local terms energy: -882.157926
where:
bonds (distance) C4'-P energy: -158.791
bonds (distance) P-C4' energy: -189.023
flat angles C4'-P-C4' energy: -201.619
flat angles P-C4'-P energy: -115.945
tors. eta vs tors. theta energy: -216.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2653.446650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.446650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.446650 (E_RNA)
where:
Base-Base interactions energy: -1770.184
where: short stacking energy: -767.882
Base-Backbone interact. energy: 0.767
local terms energy: -884.029625
where:
bonds (distance) C4'-P energy: -165.251
bonds (distance) P-C4' energy: -175.721
flat angles C4'-P-C4' energy: -183.904
flat angles P-C4'-P energy: -123.167
tors. eta vs tors. theta energy: -235.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2470.334515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.334515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.334515 (E_RNA)
where:
Base-Base interactions energy: -1678.700
where: short stacking energy: -731.217
Base-Backbone interact. energy: -0.134
local terms energy: -791.500292
where:
bonds (distance) C4'-P energy: -152.003
bonds (distance) P-C4' energy: -167.883
flat angles C4'-P-C4' energy: -183.738
flat angles P-C4'-P energy: -96.758
tors. eta vs tors. theta energy: -191.118
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: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2362.166677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.166677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.166677 (E_RNA)
where:
Base-Base interactions energy: -1592.138
where: short stacking energy: -688.302
Base-Backbone interact. energy: 1.919
local terms energy: -771.947471
where:
bonds (distance) C4'-P energy: -161.365
bonds (distance) P-C4' energy: -150.019
flat angles C4'-P-C4' energy: -175.163
flat angles P-C4'-P energy: -112.473
tors. eta vs tors. theta energy: -172.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1955.136031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.136031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.136031 (E_RNA)
where:
Base-Base interactions energy: -1265.347
where: short stacking energy: -590.073
Base-Backbone interact. energy: 0.253
local terms energy: -690.042171
where:
bonds (distance) C4'-P energy: -141.954
bonds (distance) P-C4' energy: -165.073
flat angles C4'-P-C4' energy: -162.523
flat angles P-C4'-P energy: -93.726
tors. eta vs tors. theta energy: -126.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1416.394503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.394503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.394503 (E_RNA)
where:
Base-Base interactions energy: -804.769
where: short stacking energy: -400.907
Base-Backbone interact. energy: -0.742
local terms energy: -610.883348
where:
bonds (distance) C4'-P energy: -158.061
bonds (distance) P-C4' energy: -163.576
flat angles C4'-P-C4' energy: -139.891
flat angles P-C4'-P energy: -93.503
tors. eta vs tors. theta energy: -55.853
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1075.056863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.056863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.056863 (E_RNA)
where:
Base-Base interactions energy: -581.306
where: short stacking energy: -291.867
Base-Backbone interact. energy: 1.097
local terms energy: -494.848014
where:
bonds (distance) C4'-P energy: -144.466
bonds (distance) P-C4' energy: -137.978
flat angles C4'-P-C4' energy: -131.051
flat angles P-C4'-P energy: -76.037
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -734.749608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.749608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.749608 (E_RNA)
where:
Base-Base interactions energy: -277.063
where: short stacking energy: -173.122
Base-Backbone interact. energy: 2.353
local terms energy: -460.039811
where:
bonds (distance) C4'-P energy: -141.867
bonds (distance) P-C4' energy: -163.020
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -91.315
tors. eta vs tors. theta energy: 53.607
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: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -3159.596755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3159.596755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3159.596755 (E_RNA)
where:
Base-Base interactions energy: -2203.015
where: short stacking energy: -888.028
Base-Backbone interact. energy: -4.147
local terms energy: -952.434595
where:
bonds (distance) C4'-P energy: -182.728
bonds (distance) P-C4' energy: -176.426
flat angles C4'-P-C4' energy: -212.315
flat angles P-C4'-P energy: -128.136
tors. eta vs tors. theta energy: -252.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -3015.346919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3015.346919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3015.346919 (E_RNA)
where:
Base-Base interactions energy: -2081.754
where: short stacking energy: -885.819
Base-Backbone interact. energy: -1.016
local terms energy: -932.577289
where:
bonds (distance) C4'-P energy: -166.539
bonds (distance) P-C4' energy: -157.250
flat angles C4'-P-C4' energy: -194.486
flat angles P-C4'-P energy: -136.043
tors. eta vs tors. theta energy: -278.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2862.950359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.950359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.950359 (E_RNA)
where:
Base-Base interactions energy: -1964.362
where: short stacking energy: -837.392
Base-Backbone interact. energy: -0.832
local terms energy: -897.755781
where:
bonds (distance) C4'-P energy: -170.155
bonds (distance) P-C4' energy: -176.634
flat angles C4'-P-C4' energy: -199.094
flat angles P-C4'-P energy: -123.340
tors. eta vs tors. theta energy: -228.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2676.279098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.279098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.279098 (E_RNA)
where:
Base-Base interactions energy: -1789.698
where: short stacking energy: -775.910
Base-Backbone interact. energy: -0.870
local terms energy: -885.711284
where:
bonds (distance) C4'-P energy: -165.022
bonds (distance) P-C4' energy: -177.613
flat angles C4'-P-C4' energy: -182.286
flat angles P-C4'-P energy: -128.826
tors. eta vs tors. theta energy: -231.964
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: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2483.975940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.975940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.975940 (E_RNA)
where:
Base-Base interactions energy: -1657.611
where: short stacking energy: -704.980
Base-Backbone interact. energy: -2.687
local terms energy: -823.677920
where:
bonds (distance) C4'-P energy: -159.611
bonds (distance) P-C4' energy: -169.069
flat angles C4'-P-C4' energy: -183.786
flat angles P-C4'-P energy: -118.989
tors. eta vs tors. theta energy: -192.223
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: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2346.035564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.035564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.035564 (E_RNA)
where:
Base-Base interactions energy: -1560.198
where: short stacking energy: -672.063
Base-Backbone interact. energy: -1.383
local terms energy: -784.455194
where:
bonds (distance) C4'-P energy: -158.616
bonds (distance) P-C4' energy: -153.653
flat angles C4'-P-C4' energy: -185.142
flat angles P-C4'-P energy: -103.868
tors. eta vs tors. theta energy: -183.176
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: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1884.431362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.431362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.431362 (E_RNA)
where:
Base-Base interactions energy: -1222.860
where: short stacking energy: -558.816
Base-Backbone interact. energy: 0.469
local terms energy: -662.040448
where:
bonds (distance) C4'-P energy: -139.408
bonds (distance) P-C4' energy: -147.060
flat angles C4'-P-C4' energy: -155.751
flat angles P-C4'-P energy: -99.988
tors. eta vs tors. theta energy: -119.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1446.275400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.275400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.275400 (E_RNA)
where:
Base-Base interactions energy: -839.769
where: short stacking energy: -412.923
Base-Backbone interact. energy: -3.898
local terms energy: -602.608140
where:
bonds (distance) C4'-P energy: -152.727
bonds (distance) P-C4' energy: -138.536
flat angles C4'-P-C4' energy: -149.126
flat angles P-C4'-P energy: -102.390
tors. eta vs tors. theta energy: -59.829
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: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1084.725168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.725168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.725168 (E_RNA)
where:
Base-Base interactions energy: -565.409
where: short stacking energy: -300.488
Base-Backbone interact. energy: -5.025
local terms energy: -514.291179
where:
bonds (distance) C4'-P energy: -157.531
bonds (distance) P-C4' energy: -144.088
flat angles C4'-P-C4' energy: -136.309
flat angles P-C4'-P energy: -58.668
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -740.252222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.252222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.252222 (E_RNA)
where:
Base-Base interactions energy: -275.455
where: short stacking energy: -179.651
Base-Backbone interact. energy: 3.486
local terms energy: -468.282620
where:
bonds (distance) C4'-P energy: -147.128
bonds (distance) P-C4' energy: -157.942
flat angles C4'-P-C4' energy: -126.752
flat angles P-C4'-P energy: -62.547
tors. eta vs tors. theta energy: 26.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -3152.238661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3152.238661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3152.238661 (E_RNA)
where:
Base-Base interactions energy: -2186.944
where: short stacking energy: -879.414
Base-Backbone interact. energy: 4.260
local terms energy: -969.555520
where:
bonds (distance) C4'-P energy: -181.459
bonds (distance) P-C4' energy: -184.873
flat angles C4'-P-C4' energy: -210.559
flat angles P-C4'-P energy: -138.301
tors. eta vs tors. theta energy: -254.363
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -3049.542166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.542166 (E_RNA)
where:
Base-Base interactions energy: -2092.296
where: short stacking energy: -897.357
Base-Backbone interact. energy: -2.880
local terms energy: -954.365814
where:
bonds (distance) C4'-P energy: -163.152
bonds (distance) P-C4' energy: -179.916
flat angles C4'-P-C4' energy: -200.216
flat angles P-C4'-P energy: -125.743
tors. eta vs tors. theta energy: -285.339
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2835.849306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.849306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.849306 (E_RNA)
where:
Base-Base interactions energy: -1926.380
where: short stacking energy: -803.464
Base-Backbone interact. energy: 1.804
local terms energy: -911.273151
where:
bonds (distance) C4'-P energy: -172.004
bonds (distance) P-C4' energy: -178.237
flat angles C4'-P-C4' energy: -202.852
flat angles P-C4'-P energy: -115.660
tors. eta vs tors. theta energy: -242.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2645.665843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.665843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.665843 (E_RNA)
where:
Base-Base interactions energy: -1786.187
where: short stacking energy: -760.663
Base-Backbone interact. energy: -0.594
local terms energy: -858.884297
where:
bonds (distance) C4'-P energy: -153.788
bonds (distance) P-C4' energy: -173.692
flat angles C4'-P-C4' energy: -184.773
flat angles P-C4'-P energy: -123.520
tors. eta vs tors. theta energy: -223.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2474.223445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.223445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.223445 (E_RNA)
where:
Base-Base interactions energy: -1674.185
where: short stacking energy: -723.247
Base-Backbone interact. energy: -1.568
local terms energy: -798.470564
where:
bonds (distance) C4'-P energy: -166.086
bonds (distance) P-C4' energy: -158.144
flat angles C4'-P-C4' energy: -181.638
flat angles P-C4'-P energy: -94.391
tors. eta vs tors. theta energy: -198.212
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: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2360.703068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.703068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.703068 (E_RNA)
where:
Base-Base interactions energy: -1577.056
where: short stacking energy: -703.170
Base-Backbone interact. energy: 2.915
local terms energy: -786.562345
where:
bonds (distance) C4'-P energy: -164.633
bonds (distance) P-C4' energy: -150.579
flat angles C4'-P-C4' energy: -161.571
flat angles P-C4'-P energy: -116.026
tors. eta vs tors. theta energy: -193.753
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: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1913.285010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.285010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.285010 (E_RNA)
where:
Base-Base interactions energy: -1234.280
where: short stacking energy: -567.073
Base-Backbone interact. energy: 0.747
local terms energy: -679.752623
where:
bonds (distance) C4'-P energy: -138.224
bonds (distance) P-C4' energy: -153.421
flat angles C4'-P-C4' energy: -158.108
flat angles P-C4'-P energy: -99.184
tors. eta vs tors. theta energy: -130.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1411.935045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.935045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.935045 (E_RNA)
where:
Base-Base interactions energy: -803.340
where: short stacking energy: -401.054
Base-Backbone interact. energy: 1.059
local terms energy: -609.654704
where:
bonds (distance) C4'-P energy: -156.158
bonds (distance) P-C4' energy: -166.229
flat angles C4'-P-C4' energy: -139.303
flat angles P-C4'-P energy: -84.432
tors. eta vs tors. theta energy: -63.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1134.726555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.726555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.726555 (E_RNA)
where:
Base-Base interactions energy: -591.667
where: short stacking energy: -344.691
Base-Backbone interact. energy: 1.746
local terms energy: -544.806355
where:
bonds (distance) C4'-P energy: -143.779
bonds (distance) P-C4' energy: -154.979
flat angles C4'-P-C4' energy: -140.796
flat angles P-C4'-P energy: -85.962
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -713.057637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.057637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.057637 (E_RNA)
where:
Base-Base interactions energy: -283.349
where: short stacking energy: -190.935
Base-Backbone interact. energy: -2.231
local terms energy: -427.478285
where:
bonds (distance) C4'-P energy: -142.361
bonds (distance) P-C4' energy: -140.365
flat angles C4'-P-C4' energy: -126.393
flat angles P-C4'-P energy: -50.729
tors. eta vs tors. theta energy: 32.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -3157.819706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3157.819706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3157.819706 (E_RNA)
where:
Base-Base interactions energy: -2174.407
where: short stacking energy: -860.274
Base-Backbone interact. energy: -1.662
local terms energy: -981.751079
where:
bonds (distance) C4'-P energy: -178.027
bonds (distance) P-C4' energy: -187.828
flat angles C4'-P-C4' energy: -219.046
flat angles P-C4'-P energy: -144.834
tors. eta vs tors. theta energy: -252.016
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: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -3014.966447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.966447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.966447 (E_RNA)
where:
Base-Base interactions energy: -2073.532
where: short stacking energy: -846.881
Base-Backbone interact. energy: -2.220
local terms energy: -939.215352
where:
bonds (distance) C4'-P energy: -170.399
bonds (distance) P-C4' energy: -169.870
flat angles C4'-P-C4' energy: -199.189
flat angles P-C4'-P energy: -127.979
tors. eta vs tors. theta energy: -271.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2868.225586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.225586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.225586 (E_RNA)
where:
Base-Base interactions energy: -1958.528
where: short stacking energy: -811.701
Base-Backbone interact. energy: -2.352
local terms energy: -907.345255
where:
bonds (distance) C4'-P energy: -159.058
bonds (distance) P-C4' energy: -183.397
flat angles C4'-P-C4' energy: -197.692
flat angles P-C4'-P energy: -127.292
tors. eta vs tors. theta energy: -239.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2695.282940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.282940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.282940 (E_RNA)
where:
Base-Base interactions energy: -1825.985
where: short stacking energy: -784.519
Base-Backbone interact. energy: -0.982
local terms energy: -868.316474
where:
bonds (distance) C4'-P energy: -168.631
bonds (distance) P-C4' energy: -158.832
flat angles C4'-P-C4' energy: -200.341
flat angles P-C4'-P energy: -107.102
tors. eta vs tors. theta energy: -233.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2484.124168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.124168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.124168 (E_RNA)
where:
Base-Base interactions energy: -1665.601
where: short stacking energy: -738.299
Base-Backbone interact. energy: 2.310
local terms energy: -820.832539
where:
bonds (distance) C4'-P energy: -155.754
bonds (distance) P-C4' energy: -160.576
flat angles C4'-P-C4' energy: -193.867
flat angles P-C4'-P energy: -107.261
tors. eta vs tors. theta energy: -203.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2361.774632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.774632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.774632 (E_RNA)
where:
Base-Base interactions energy: -1566.725
where: short stacking energy: -662.404
Base-Backbone interact. energy: 0.016
local terms energy: -795.064796
where:
bonds (distance) C4'-P energy: -151.855
bonds (distance) P-C4' energy: -162.150
flat angles C4'-P-C4' energy: -184.955
flat angles P-C4'-P energy: -111.422
tors. eta vs tors. theta energy: -184.683
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: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1862.065024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.065024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.065024 (E_RNA)
where:
Base-Base interactions energy: -1222.977
where: short stacking energy: -548.159
Base-Backbone interact. energy: -1.450
local terms energy: -637.638175
where:
bonds (distance) C4'-P energy: -142.255
bonds (distance) P-C4' energy: -149.367
flat angles C4'-P-C4' energy: -147.886
flat angles P-C4'-P energy: -91.204
tors. eta vs tors. theta energy: -106.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1441.201596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.201596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.201596 (E_RNA)
where:
Base-Base interactions energy: -861.391
where: short stacking energy: -382.102
Base-Backbone interact. energy: 0.282
local terms energy: -580.092965
where:
bonds (distance) C4'-P energy: -150.251
bonds (distance) P-C4' energy: -155.227
flat angles C4'-P-C4' energy: -145.971
flat angles P-C4'-P energy: -85.776
tors. eta vs tors. theta energy: -42.868
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: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1075.647570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.647570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.647570 (E_RNA)
where:
Base-Base interactions energy: -614.052
where: short stacking energy: -301.678
Base-Backbone interact. energy: -1.826
local terms energy: -459.768986
where:
bonds (distance) C4'-P energy: -141.841
bonds (distance) P-C4' energy: -138.010
flat angles C4'-P-C4' energy: -103.910
flat angles P-C4'-P energy: -83.119
tors. eta vs tors. theta energy: 7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -783.464983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.464983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.464983 (E_RNA)
where:
Base-Base interactions energy: -334.569
where: short stacking energy: -239.404
Base-Backbone interact. energy: 4.395
local terms energy: -453.291143
where:
bonds (distance) C4'-P energy: -140.027
bonds (distance) P-C4' energy: -142.486
flat angles C4'-P-C4' energy: -110.005
flat angles P-C4'-P energy: -63.983
tors. eta vs tors. theta energy: 3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -3140.225031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3140.225031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3140.225031 (E_RNA)
where:
Base-Base interactions energy: -2184.250
where: short stacking energy: -871.796
Base-Backbone interact. energy: 2.095
local terms energy: -958.069788
where:
bonds (distance) C4'-P energy: -160.695
bonds (distance) P-C4' energy: -189.787
flat angles C4'-P-C4' energy: -204.843
flat angles P-C4'-P energy: -148.577
tors. eta vs tors. theta energy: -254.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2957.329867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.329867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.329867 (E_RNA)
where:
Base-Base interactions energy: -2032.556
where: short stacking energy: -897.137
Base-Backbone interact. energy: 1.543
local terms energy: -926.317088
where:
bonds (distance) C4'-P energy: -175.222
bonds (distance) P-C4' energy: -160.707
flat angles C4'-P-C4' energy: -195.655
flat angles P-C4'-P energy: -126.323
tors. eta vs tors. theta energy: -268.411
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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2869.768463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.768463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.768463 (E_RNA)
where:
Base-Base interactions energy: -1968.345
where: short stacking energy: -814.353
Base-Backbone interact. energy: 0.360
local terms energy: -901.783351
where:
bonds (distance) C4'-P energy: -165.671
bonds (distance) P-C4' energy: -178.821
flat angles C4'-P-C4' energy: -209.586
flat angles P-C4'-P energy: -106.949
tors. eta vs tors. theta energy: -240.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2696.026351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.026351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.026351 (E_RNA)
where:
Base-Base interactions energy: -1810.120
where: short stacking energy: -794.513
Base-Backbone interact. energy: -6.133
local terms energy: -879.773066
where:
bonds (distance) C4'-P energy: -160.789
bonds (distance) P-C4' energy: -168.129
flat angles C4'-P-C4' energy: -191.628
flat angles P-C4'-P energy: -110.229
tors. eta vs tors. theta energy: -248.999
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: 444
Temperature: 1.100000
Total energy: -2511.654508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.654508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.654508 (E_RNA)
where:
Base-Base interactions energy: -1666.882
where: short stacking energy: -715.448
Base-Backbone interact. energy: 3.118
local terms energy: -847.890532
where:
bonds (distance) C4'-P energy: -171.217
bonds (distance) P-C4' energy: -166.509
flat angles C4'-P-C4' energy: -185.542
flat angles P-C4'-P energy: -118.616
tors. eta vs tors. theta energy: -206.007
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: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2329.205222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.205222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.205222 (E_RNA)
where:
Base-Base interactions energy: -1534.940
where: short stacking energy: -634.646
Base-Backbone interact. energy: -2.503
local terms energy: -791.761880
where:
bonds (distance) C4'-P energy: -152.829
bonds (distance) P-C4' energy: -162.537
flat angles C4'-P-C4' energy: -183.679
flat angles P-C4'-P energy: -111.111
tors. eta vs tors. theta energy: -181.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1828.598906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.598906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.598906 (E_RNA)
where:
Base-Base interactions energy: -1173.429
where: short stacking energy: -555.526
Base-Backbone interact. energy: 2.316
local terms energy: -657.485676
where:
bonds (distance) C4'-P energy: -153.047
bonds (distance) P-C4' energy: -135.522
flat angles C4'-P-C4' energy: -162.728
flat angles P-C4'-P energy: -107.934
tors. eta vs tors. theta energy: -98.254
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: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1430.706358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.706358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.706358 (E_RNA)
where:
Base-Base interactions energy: -859.366
where: short stacking energy: -391.520
Base-Backbone interact. energy: 3.063
local terms energy: -574.403473
where:
bonds (distance) C4'-P energy: -137.468
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -140.697
flat angles P-C4'-P energy: -104.045
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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1015.846192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.846192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.846192 (E_RNA)
where:
Base-Base interactions energy: -534.412
where: short stacking energy: -293.245
Base-Backbone interact. energy: 0.891
local terms energy: -482.324825
where:
bonds (distance) C4'-P energy: -126.389
bonds (distance) P-C4' energy: -138.500
flat angles C4'-P-C4' energy: -118.854
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -19.246
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -732.845541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.845541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.845541 (E_RNA)
where:
Base-Base interactions energy: -309.282
where: short stacking energy: -196.096
Base-Backbone interact. energy: 0.026
local terms energy: -423.589189
where:
bonds (distance) C4'-P energy: -112.861
bonds (distance) P-C4' energy: -157.689
flat angles C4'-P-C4' energy: -116.512
flat angles P-C4'-P energy: -74.654
tors. eta vs tors. theta energy: 38.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -3134.008502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3134.008502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3134.008502 (E_RNA)
where:
Base-Base interactions energy: -2162.280
where: short stacking energy: -877.381
Base-Backbone interact. energy: -3.263
local terms energy: -968.465836
where:
bonds (distance) C4'-P energy: -192.558
bonds (distance) P-C4' energy: -181.134
flat angles C4'-P-C4' energy: -205.126
flat angles P-C4'-P energy: -138.074
tors. eta vs tors. theta energy: -251.573
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: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2989.581900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.581900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.581900 (E_RNA)
where:
Base-Base interactions energy: -2052.230
where: short stacking energy: -862.029
Base-Backbone interact. energy: -3.197
local terms energy: -934.154691
where:
bonds (distance) C4'-P energy: -164.657
bonds (distance) P-C4' energy: -178.816
flat angles C4'-P-C4' energy: -200.357
flat angles P-C4'-P energy: -121.018
tors. eta vs tors. theta energy: -269.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2812.800513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.800513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.800513 (E_RNA)
where:
Base-Base interactions energy: -1936.295
where: short stacking energy: -798.794
Base-Backbone interact. energy: -2.254
local terms energy: -874.251366
where:
bonds (distance) C4'-P energy: -163.803
bonds (distance) P-C4' energy: -184.806
flat angles C4'-P-C4' energy: -177.077
flat angles P-C4'-P energy: -134.816
tors. eta vs tors. theta energy: -213.750
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2659.104058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.104058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.104058 (E_RNA)
where:
Base-Base interactions energy: -1778.713
where: short stacking energy: -775.402
Base-Backbone interact. energy: -0.699
local terms energy: -879.692042
where:
bonds (distance) C4'-P energy: -159.792
bonds (distance) P-C4' energy: -154.593
flat angles C4'-P-C4' energy: -198.973
flat angles P-C4'-P energy: -133.617
tors. eta vs tors. theta energy: -232.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2493.673160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.673160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.673160 (E_RNA)
where:
Base-Base interactions energy: -1678.985
where: short stacking energy: -680.001
Base-Backbone interact. energy: -0.826
local terms energy: -813.862069
where:
bonds (distance) C4'-P energy: -162.482
bonds (distance) P-C4' energy: -148.676
flat angles C4'-P-C4' energy: -179.313
flat angles P-C4'-P energy: -129.857
tors. eta vs tors. theta energy: -193.534
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: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2376.867361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.867361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.867361 (E_RNA)
where:
Base-Base interactions energy: -1595.560
where: short stacking energy: -686.767
Base-Backbone interact. energy: -0.759
local terms energy: -780.548699
where:
bonds (distance) C4'-P energy: -151.223
bonds (distance) P-C4' energy: -145.647
flat angles C4'-P-C4' energy: -188.196
flat angles P-C4'-P energy: -114.953
tors. eta vs tors. theta energy: -180.529
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: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1825.842248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.842248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.842248 (E_RNA)
where:
Base-Base interactions energy: -1186.639
where: short stacking energy: -569.053
Base-Backbone interact. energy: -0.455
local terms energy: -638.747713
where:
bonds (distance) C4'-P energy: -123.107
bonds (distance) P-C4' energy: -131.147
flat angles C4'-P-C4' energy: -160.010
flat angles P-C4'-P energy: -99.596
tors. eta vs tors. theta energy: -124.888
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: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1356.589639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.589639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.589639 (E_RNA)
where:
Base-Base interactions energy: -778.817
where: short stacking energy: -387.276
Base-Backbone interact. energy: -2.883
local terms energy: -574.889628
where:
bonds (distance) C4'-P energy: -156.286
bonds (distance) P-C4' energy: -150.254
flat angles C4'-P-C4' energy: -136.646
flat angles P-C4'-P energy: -87.307
tors. eta vs tors. theta energy: -44.397
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: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -992.633129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.633129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.633129 (E_RNA)
where:
Base-Base interactions energy: -509.690
where: short stacking energy: -289.506
Base-Backbone interact. energy: 0.559
local terms energy: -483.502192
where:
bonds (distance) C4'-P energy: -146.279
bonds (distance) P-C4' energy: -153.459
flat angles C4'-P-C4' energy: -120.530
flat angles P-C4'-P energy: -62.905
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -755.194711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.194711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.194711 (E_RNA)
where:
Base-Base interactions energy: -299.103
where: short stacking energy: -214.396
Base-Backbone interact. energy: 2.669
local terms energy: -458.760654
where:
bonds (distance) C4'-P energy: -136.374
bonds (distance) P-C4' energy: -138.847
flat angles C4'-P-C4' energy: -134.077
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: 18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -3193.695661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3193.695661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3193.695661 (E_RNA)
where:
Base-Base interactions energy: -2206.475
where: short stacking energy: -896.886
Base-Backbone interact. energy: 2.118
local terms energy: -989.338534
where:
bonds (distance) C4'-P energy: -179.580
bonds (distance) P-C4' energy: -204.993
flat angles C4'-P-C4' energy: -202.449
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -264.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2942.223560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.223560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.223560 (E_RNA)
where:
Base-Base interactions energy: -2031.465
where: short stacking energy: -834.546
Base-Backbone interact. energy: -6.940
local terms energy: -903.818226
where:
bonds (distance) C4'-P energy: -159.801
bonds (distance) P-C4' energy: -164.211
flat angles C4'-P-C4' energy: -189.617
flat angles P-C4'-P energy: -122.060
tors. eta vs tors. theta energy: -268.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2835.982846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.982846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.982846 (E_RNA)
where:
Base-Base interactions energy: -1959.186
where: short stacking energy: -811.373
Base-Backbone interact. energy: -4.118
local terms energy: -872.679503
where:
bonds (distance) C4'-P energy: -149.382
bonds (distance) P-C4' energy: -180.550
flat angles C4'-P-C4' energy: -190.473
flat angles P-C4'-P energy: -137.861
tors. eta vs tors. theta energy: -214.413
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2658.012807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.012807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.012807 (E_RNA)
where:
Base-Base interactions energy: -1781.630
where: short stacking energy: -810.364
Base-Backbone interact. energy: -2.209
local terms energy: -874.173915
where:
bonds (distance) C4'-P energy: -139.112
bonds (distance) P-C4' energy: -173.926
flat angles C4'-P-C4' energy: -196.839
flat angles P-C4'-P energy: -116.165
tors. eta vs tors. theta energy: -248.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2558.146072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.146072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.146072 (E_RNA)
where:
Base-Base interactions energy: -1727.853
where: short stacking energy: -727.632
Base-Backbone interact. energy: -5.536
local terms energy: -824.756675
where:
bonds (distance) C4'-P energy: -177.071
bonds (distance) P-C4' energy: -134.110
flat angles C4'-P-C4' energy: -193.286
flat angles P-C4'-P energy: -112.702
tors. eta vs tors. theta energy: -207.587
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: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2416.603756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.603756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.603756 (E_RNA)
where:
Base-Base interactions energy: -1602.613
where: short stacking energy: -700.667
Base-Backbone interact. energy: -1.369
local terms energy: -812.622125
where:
bonds (distance) C4'-P energy: -154.272
bonds (distance) P-C4' energy: -153.804
flat angles C4'-P-C4' energy: -183.422
flat angles P-C4'-P energy: -123.615
tors. eta vs tors. theta energy: -197.509
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: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1891.223862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.223862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.223862 (E_RNA)
where:
Base-Base interactions energy: -1160.277
where: short stacking energy: -532.717
Base-Backbone interact. energy: 0.686
local terms energy: -731.632680
where:
bonds (distance) C4'-P energy: -178.255
bonds (distance) P-C4' energy: -163.759
flat angles C4'-P-C4' energy: -174.236
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -120.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1345.275813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.275813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.275813 (E_RNA)
where:
Base-Base interactions energy: -777.083
where: short stacking energy: -409.104
Base-Backbone interact. energy: 3.795
local terms energy: -571.987839
where:
bonds (distance) C4'-P energy: -145.379
bonds (distance) P-C4' energy: -148.245
flat angles C4'-P-C4' energy: -156.258
flat angles P-C4'-P energy: -72.249
tors. eta vs tors. theta energy: -49.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1053.306751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.306751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.306751 (E_RNA)
where:
Base-Base interactions energy: -558.667
where: short stacking energy: -295.983
Base-Backbone interact. energy: 0.405
local terms energy: -495.044608
where:
bonds (distance) C4'-P energy: -120.224
bonds (distance) P-C4' energy: -144.458
flat angles C4'-P-C4' energy: -135.466
flat angles P-C4'-P energy: -67.994
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -722.072328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.072328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.072328 (E_RNA)
where:
Base-Base interactions energy: -288.522
where: short stacking energy: -212.566
Base-Backbone interact. energy: 5.148
local terms energy: -438.697644
where:
bonds (distance) C4'-P energy: -113.205
bonds (distance) P-C4' energy: -150.526
flat angles C4'-P-C4' energy: -131.649
flat angles P-C4'-P energy: -74.393
tors. eta vs tors. theta energy: 31.075
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: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -3159.848206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3159.848206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3159.848206 (E_RNA)
where:
Base-Base interactions energy: -2191.928
where: short stacking energy: -866.666
Base-Backbone interact. energy: -6.064
local terms energy: -961.856293
where:
bonds (distance) C4'-P energy: -188.925
bonds (distance) P-C4' energy: -190.491
flat angles C4'-P-C4' energy: -193.764
flat angles P-C4'-P energy: -139.153
tors. eta vs tors. theta energy: -249.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -3001.303178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.303178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.303178 (E_RNA)
where:
Base-Base interactions energy: -2065.877
where: short stacking energy: -889.199
Base-Backbone interact. energy: -3.200
local terms energy: -932.226749
where:
bonds (distance) C4'-P energy: -164.666
bonds (distance) P-C4' energy: -170.865
flat angles C4'-P-C4' energy: -197.199
flat angles P-C4'-P energy: -131.141
tors. eta vs tors. theta energy: -268.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2872.305753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.305753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.305753 (E_RNA)
where:
Base-Base interactions energy: -1981.136
where: short stacking energy: -796.472
Base-Backbone interact. energy: 4.249
local terms energy: -895.418210
where:
bonds (distance) C4'-P energy: -173.674
bonds (distance) P-C4' energy: -181.710
flat angles C4'-P-C4' energy: -190.415
flat angles P-C4'-P energy: -113.683
tors. eta vs tors. theta energy: -235.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2633.721352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.721352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.721352 (E_RNA)
where:
Base-Base interactions energy: -1749.710
where: short stacking energy: -780.531
Base-Backbone interact. energy: -0.136
local terms energy: -883.875358
where:
bonds (distance) C4'-P energy: -167.700
bonds (distance) P-C4' energy: -173.743
flat angles C4'-P-C4' energy: -199.230
flat angles P-C4'-P energy: -109.585
tors. eta vs tors. theta energy: -233.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2513.338673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.338673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.338673 (E_RNA)
where:
Base-Base interactions energy: -1723.887
where: short stacking energy: -717.907
Base-Backbone interact. energy: 0.682
local terms energy: -790.133769
where:
bonds (distance) C4'-P energy: -151.100
bonds (distance) P-C4' energy: -152.754
flat angles C4'-P-C4' energy: -189.694
flat angles P-C4'-P energy: -91.812
tors. eta vs tors. theta energy: -204.775
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: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2388.514153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.514153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.514153 (E_RNA)
where:
Base-Base interactions energy: -1580.260
where: short stacking energy: -648.146
Base-Backbone interact. energy: -2.983
local terms energy: -805.271294
where:
bonds (distance) C4'-P energy: -147.268
bonds (distance) P-C4' energy: -162.203
flat angles C4'-P-C4' energy: -187.066
flat angles P-C4'-P energy: -125.110
tors. eta vs tors. theta energy: -183.625
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: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1911.073618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.073618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.073618 (E_RNA)
where:
Base-Base interactions energy: -1229.958
where: short stacking energy: -567.706
Base-Backbone interact. energy: -1.550
local terms energy: -679.565908
where:
bonds (distance) C4'-P energy: -145.529
bonds (distance) P-C4' energy: -157.385
flat angles C4'-P-C4' energy: -163.332
flat angles P-C4'-P energy: -107.593
tors. eta vs tors. theta energy: -105.727
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: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1356.768903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.768903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.768903 (E_RNA)
where:
Base-Base interactions energy: -762.242
where: short stacking energy: -380.532
Base-Backbone interact. energy: -2.614
local terms energy: -591.913358
where:
bonds (distance) C4'-P energy: -156.387
bonds (distance) P-C4' energy: -155.426
flat angles C4'-P-C4' energy: -147.196
flat angles P-C4'-P energy: -87.441
tors. eta vs tors. theta energy: -45.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1084.815901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.815901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.815901 (E_RNA)
where:
Base-Base interactions energy: -583.364
where: short stacking energy: -318.847
Base-Backbone interact. energy: -0.544
local terms energy: -500.907671
where:
bonds (distance) C4'-P energy: -135.254
bonds (distance) P-C4' energy: -156.728
flat angles C4'-P-C4' energy: -128.103
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -773.353861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.353861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.353861 (E_RNA)
where:
Base-Base interactions energy: -322.672
where: short stacking energy: -220.583
Base-Backbone interact. energy: -0.848
local terms energy: -449.833670
where:
bonds (distance) C4'-P energy: -135.276
bonds (distance) P-C4' energy: -158.786
flat angles C4'-P-C4' energy: -119.140
flat angles P-C4'-P energy: -57.712
tors. eta vs tors. theta energy: 21.081
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: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -3151.279257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3151.279257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3151.279257 (E_RNA)
where:
Base-Base interactions energy: -2227.692
where: short stacking energy: -874.055
Base-Backbone interact. energy: -4.780
local terms energy: -918.807451
where:
bonds (distance) C4'-P energy: -169.397
bonds (distance) P-C4' energy: -177.130
flat angles C4'-P-C4' energy: -195.678
flat angles P-C4'-P energy: -134.624
tors. eta vs tors. theta energy: -241.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2998.386758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.386758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.386758 (E_RNA)
where:
Base-Base interactions energy: -2060.099
where: short stacking energy: -879.599
Base-Backbone interact. energy: -2.533
local terms energy: -935.754689
where:
bonds (distance) C4'-P energy: -156.289
bonds (distance) P-C4' energy: -174.117
flat angles C4'-P-C4' energy: -209.009
flat angles P-C4'-P energy: -123.724
tors. eta vs tors. theta energy: -272.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2807.403740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.403740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.403740 (E_RNA)
where:
Base-Base interactions energy: -1971.083
where: short stacking energy: -788.941
Base-Backbone interact. energy: 2.017
local terms energy: -838.337871
where:
bonds (distance) C4'-P energy: -168.980
bonds (distance) P-C4' energy: -147.322
flat angles C4'-P-C4' energy: -182.698
flat angles P-C4'-P energy: -117.617
tors. eta vs tors. theta energy: -221.721
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: 448
Temperature: 1.050000
Total energy: -2666.502157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.502157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.502157 (E_RNA)
where:
Base-Base interactions energy: -1795.327
where: short stacking energy: -768.188
Base-Backbone interact. energy: 0.193
local terms energy: -871.368193
where:
bonds (distance) C4'-P energy: -165.149
bonds (distance) P-C4' energy: -158.566
flat angles C4'-P-C4' energy: -189.065
flat angles P-C4'-P energy: -129.693
tors. eta vs tors. theta energy: -228.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2455.633529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.633529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.633529 (E_RNA)
where:
Base-Base interactions energy: -1700.222
where: short stacking energy: -706.066
Base-Backbone interact. energy: -1.170
local terms energy: -754.241353
where:
bonds (distance) C4'-P energy: -156.295
bonds (distance) P-C4' energy: -164.495
flat angles C4'-P-C4' energy: -166.925
flat angles P-C4'-P energy: -96.869
tors. eta vs tors. theta energy: -169.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2449.472214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.472214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.472214 (E_RNA)
where:
Base-Base interactions energy: -1655.368
where: short stacking energy: -696.244
Base-Backbone interact. energy: -2.842
local terms energy: -791.261775
where:
bonds (distance) C4'-P energy: -166.124
bonds (distance) P-C4' energy: -144.099
flat angles C4'-P-C4' energy: -162.995
flat angles P-C4'-P energy: -123.724
tors. eta vs tors. theta energy: -194.320
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: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1868.141629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.141629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.141629 (E_RNA)
where:
Base-Base interactions energy: -1162.847
where: short stacking energy: -534.203
Base-Backbone interact. energy: 3.526
local terms energy: -708.819888
where:
bonds (distance) C4'-P energy: -148.309
bonds (distance) P-C4' energy: -161.034
flat angles C4'-P-C4' energy: -172.068
flat angles P-C4'-P energy: -111.264
tors. eta vs tors. theta energy: -116.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1341.072612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.072612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.072612 (E_RNA)
where:
Base-Base interactions energy: -738.708
where: short stacking energy: -392.074
Base-Backbone interact. energy: 2.638
local terms energy: -605.002922
where:
bonds (distance) C4'-P energy: -145.562
bonds (distance) P-C4' energy: -170.185
flat angles C4'-P-C4' energy: -146.048
flat angles P-C4'-P energy: -97.405
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1046.586011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.586011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.586011 (E_RNA)
where:
Base-Base interactions energy: -515.990
where: short stacking energy: -282.722
Base-Backbone interact. energy: 4.080
local terms energy: -534.675918
where:
bonds (distance) C4'-P energy: -139.015
bonds (distance) P-C4' energy: -160.460
flat angles C4'-P-C4' energy: -149.701
flat angles P-C4'-P energy: -76.434
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -792.129604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.129604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.129604 (E_RNA)
where:
Base-Base interactions energy: -335.347
where: short stacking energy: -203.164
Base-Backbone interact. energy: 1.616
local terms energy: -458.398786
where:
bonds (distance) C4'-P energy: -134.214
bonds (distance) P-C4' energy: -150.522
flat angles C4'-P-C4' energy: -125.523
flat angles P-C4'-P energy: -75.595
tors. eta vs tors. theta energy: 27.455
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -3135.693297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3135.693297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3135.693297 (E_RNA)
where:
Base-Base interactions energy: -2215.138
where: short stacking energy: -885.074
Base-Backbone interact. energy: -3.444
local terms energy: -917.111692
where:
bonds (distance) C4'-P energy: -169.523
bonds (distance) P-C4' energy: -181.213
flat angles C4'-P-C4' energy: -189.471
flat angles P-C4'-P energy: -130.137
tors. eta vs tors. theta energy: -246.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2988.823632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.823632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.823632 (E_RNA)
where:
Base-Base interactions energy: -2054.236
where: short stacking energy: -884.532
Base-Backbone interact. energy: -5.702
local terms energy: -928.886211
where:
bonds (distance) C4'-P energy: -180.580
bonds (distance) P-C4' energy: -158.681
flat angles C4'-P-C4' energy: -197.892
flat angles P-C4'-P energy: -120.880
tors. eta vs tors. theta energy: -270.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2781.930199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.930199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.930199 (E_RNA)
where:
Base-Base interactions energy: -1927.665
where: short stacking energy: -769.631
Base-Backbone interact. energy: -1.843
local terms energy: -852.422092
where:
bonds (distance) C4'-P energy: -148.982
bonds (distance) P-C4' energy: -167.813
flat angles C4'-P-C4' energy: -199.565
flat angles P-C4'-P energy: -119.379
tors. eta vs tors. theta energy: -216.683
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: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2618.730315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.730315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.730315 (E_RNA)
where:
Base-Base interactions energy: -1758.874
where: short stacking energy: -778.034
Base-Backbone interact. energy: -3.379
local terms energy: -856.477615
where:
bonds (distance) C4'-P energy: -154.277
bonds (distance) P-C4' energy: -172.597
flat angles C4'-P-C4' energy: -179.826
flat angles P-C4'-P energy: -121.661
tors. eta vs tors. theta energy: -228.117
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: 449
Temperature: 1.100000
Total energy: -2417.902479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.902479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.902479 (E_RNA)
where:
Base-Base interactions energy: -1649.122
where: short stacking energy: -645.466
Base-Backbone interact. energy: -4.885
local terms energy: -763.895223
where:
bonds (distance) C4'-P energy: -158.966
bonds (distance) P-C4' energy: -166.113
flat angles C4'-P-C4' energy: -165.538
flat angles P-C4'-P energy: -94.808
tors. eta vs tors. theta energy: -178.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2403.093845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.093845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.093845 (E_RNA)
where:
Base-Base interactions energy: -1587.801
where: short stacking energy: -699.829
Base-Backbone interact. energy: -3.895
local terms energy: -811.397377
where:
bonds (distance) C4'-P energy: -153.179
bonds (distance) P-C4' energy: -155.337
flat angles C4'-P-C4' energy: -182.541
flat angles P-C4'-P energy: -126.782
tors. eta vs tors. theta energy: -193.559
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: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1863.270605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.270605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.270605 (E_RNA)
where:
Base-Base interactions energy: -1180.999
where: short stacking energy: -553.813
Base-Backbone interact. energy: -0.531
local terms energy: -681.740389
where:
bonds (distance) C4'-P energy: -144.555
bonds (distance) P-C4' energy: -170.735
flat angles C4'-P-C4' energy: -165.209
flat angles P-C4'-P energy: -76.588
tors. eta vs tors. theta energy: -124.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1384.327020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.327020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.327020 (E_RNA)
where:
Base-Base interactions energy: -805.695
where: short stacking energy: -406.966
Base-Backbone interact. energy: 0.533
local terms energy: -579.164982
where:
bonds (distance) C4'-P energy: -154.211
bonds (distance) P-C4' energy: -150.431
flat angles C4'-P-C4' energy: -151.528
flat angles P-C4'-P energy: -73.034
tors. eta vs tors. theta energy: -49.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1082.604382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.604382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.604382 (E_RNA)
where:
Base-Base interactions energy: -559.457
where: short stacking energy: -314.420
Base-Backbone interact. energy: 5.844
local terms energy: -528.990960
where:
bonds (distance) C4'-P energy: -156.930
bonds (distance) P-C4' energy: -149.542
flat angles C4'-P-C4' energy: -115.756
flat angles P-C4'-P energy: -96.542
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -795.012731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.012731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.012731 (E_RNA)
where:
Base-Base interactions energy: -381.027
where: short stacking energy: -247.006
Base-Backbone interact. energy: 4.848
local terms energy: -418.833578
where:
bonds (distance) C4'-P energy: -116.534
bonds (distance) P-C4' energy: -145.174
flat angles C4'-P-C4' energy: -106.509
flat angles P-C4'-P energy: -76.943
tors. eta vs tors. theta energy: 26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -3150.711205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3150.711205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3150.711205 (E_RNA)
where:
Base-Base interactions energy: -2216.536
where: short stacking energy: -888.033
Base-Backbone interact. energy: -2.044
local terms energy: -932.131204
where:
bonds (distance) C4'-P energy: -176.095
bonds (distance) P-C4' energy: -190.039
flat angles C4'-P-C4' energy: -186.134
flat angles P-C4'-P energy: -127.789
tors. eta vs tors. theta energy: -252.074
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: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -3014.243241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.243241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.243241 (E_RNA)
where:
Base-Base interactions energy: -2076.777
where: short stacking energy: -873.515
Base-Backbone interact. energy: -5.879
local terms energy: -931.588166
where:
bonds (distance) C4'-P energy: -153.305
bonds (distance) P-C4' energy: -176.019
flat angles C4'-P-C4' energy: -201.493
flat angles P-C4'-P energy: -129.312
tors. eta vs tors. theta energy: -271.460
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: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2816.693947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.693947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.693947 (E_RNA)
where:
Base-Base interactions energy: -1958.933
where: short stacking energy: -837.174
Base-Backbone interact. energy: -5.277
local terms energy: -852.484110
where:
bonds (distance) C4'-P energy: -158.710
bonds (distance) P-C4' energy: -177.241
flat angles C4'-P-C4' energy: -183.847
flat angles P-C4'-P energy: -102.119
tors. eta vs tors. theta energy: -230.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2586.375637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.375637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.375637 (E_RNA)
where:
Base-Base interactions energy: -1758.421
where: short stacking energy: -756.612
Base-Backbone interact. energy: -0.299
local terms energy: -827.655531
where:
bonds (distance) C4'-P energy: -168.404
bonds (distance) P-C4' energy: -164.612
flat angles C4'-P-C4' energy: -182.339
flat angles P-C4'-P energy: -101.020
tors. eta vs tors. theta energy: -211.281
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: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2474.772078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.772078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.772078 (E_RNA)
where:
Base-Base interactions energy: -1668.558
where: short stacking energy: -689.123
Base-Backbone interact. energy: -2.999
local terms energy: -803.215786
where:
bonds (distance) C4'-P energy: -167.769
bonds (distance) P-C4' energy: -154.939
flat angles C4'-P-C4' energy: -176.588
flat angles P-C4'-P energy: -104.578
tors. eta vs tors. theta energy: -199.341
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2431.816487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.816487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.816487 (E_RNA)
where:
Base-Base interactions energy: -1640.938
where: short stacking energy: -729.486
Base-Backbone interact. energy: -5.050
local terms energy: -785.829041
where:
bonds (distance) C4'-P energy: -144.260
bonds (distance) P-C4' energy: -163.677
flat angles C4'-P-C4' energy: -155.929
flat angles P-C4'-P energy: -120.438
tors. eta vs tors. theta energy: -201.526
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: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1809.481037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.481037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.481037 (E_RNA)
where:
Base-Base interactions energy: -1169.594
where: short stacking energy: -541.057
Base-Backbone interact. energy: 9.012
local terms energy: -648.899007
where:
bonds (distance) C4'-P energy: -133.605
bonds (distance) P-C4' energy: -157.742
flat angles C4'-P-C4' energy: -160.039
flat angles P-C4'-P energy: -88.453
tors. eta vs tors. theta energy: -109.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1396.661944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.661944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.661944 (E_RNA)
where:
Base-Base interactions energy: -787.894
where: short stacking energy: -396.466
Base-Backbone interact. energy: -2.159
local terms energy: -606.608346
where:
bonds (distance) C4'-P energy: -143.114
bonds (distance) P-C4' energy: -149.801
flat angles C4'-P-C4' energy: -159.697
flat angles P-C4'-P energy: -97.276
tors. eta vs tors. theta energy: -56.721
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: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1044.329722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.329722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.329722 (E_RNA)
where:
Base-Base interactions energy: -512.755
where: short stacking energy: -265.137
Base-Backbone interact. energy: 3.955
local terms energy: -535.529914
where:
bonds (distance) C4'-P energy: -151.306
bonds (distance) P-C4' energy: -169.331
flat angles C4'-P-C4' energy: -126.833
flat angles P-C4'-P energy: -81.590
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -889.931722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.931722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.931722 (E_RNA)
where:
Base-Base interactions energy: -423.605
where: short stacking energy: -268.006
Base-Backbone interact. energy: 1.071
local terms energy: -467.397815
where:
bonds (distance) C4'-P energy: -140.018
bonds (distance) P-C4' energy: -146.786
flat angles C4'-P-C4' energy: -108.840
flat angles P-C4'-P energy: -80.306
tors. eta vs tors. theta energy: 8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -3199.362380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3199.362380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3199.362380 (E_RNA)
where:
Base-Base interactions energy: -2236.324
where: short stacking energy: -878.978
Base-Backbone interact. energy: -3.177
local terms energy: -959.861223
where:
bonds (distance) C4'-P energy: -193.440
bonds (distance) P-C4' energy: -173.481
flat angles C4'-P-C4' energy: -206.591
flat angles P-C4'-P energy: -136.780
tors. eta vs tors. theta energy: -249.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2974.629344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.629344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.629344 (E_RNA)
where:
Base-Base interactions energy: -2040.956
where: short stacking energy: -841.678
Base-Backbone interact. energy: -4.271
local terms energy: -929.401608
where:
bonds (distance) C4'-P energy: -161.297
bonds (distance) P-C4' energy: -178.567
flat angles C4'-P-C4' energy: -203.260
flat angles P-C4'-P energy: -123.622
tors. eta vs tors. theta energy: -262.655
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: 451
Temperature: 1.000000
Total energy: -2852.943914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.943914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.943914 (E_RNA)
where:
Base-Base interactions energy: -1993.057
where: short stacking energy: -817.841
Base-Backbone interact. energy: -1.349
local terms energy: -858.538460
where:
bonds (distance) C4'-P energy: -160.354
bonds (distance) P-C4' energy: -180.835
flat angles C4'-P-C4' energy: -185.031
flat angles P-C4'-P energy: -101.659
tors. eta vs tors. theta energy: -230.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2623.154993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.154993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.154993 (E_RNA)
where:
Base-Base interactions energy: -1789.094
where: short stacking energy: -737.843
Base-Backbone interact. energy: -3.354
local terms energy: -830.707294
where:
bonds (distance) C4'-P energy: -148.718
bonds (distance) P-C4' energy: -168.977
flat angles C4'-P-C4' energy: -184.383
flat angles P-C4'-P energy: -121.969
tors. eta vs tors. theta energy: -206.660
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: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2378.015954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.015954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.015954 (E_RNA)
where:
Base-Base interactions energy: -1578.888
where: short stacking energy: -673.718
Base-Backbone interact. energy: -1.297
local terms energy: -797.830535
where:
bonds (distance) C4'-P energy: -165.141
bonds (distance) P-C4' energy: -160.927
flat angles C4'-P-C4' energy: -195.744
flat angles P-C4'-P energy: -99.680
tors. eta vs tors. theta energy: -176.339
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: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2457.167259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.167259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.167259 (E_RNA)
where:
Base-Base interactions energy: -1692.244
where: short stacking energy: -663.101
Base-Backbone interact. energy: -3.047
local terms energy: -761.876236
where:
bonds (distance) C4'-P energy: -153.141
bonds (distance) P-C4' energy: -148.010
flat angles C4'-P-C4' energy: -170.296
flat angles P-C4'-P energy: -115.724
tors. eta vs tors. theta energy: -174.705
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: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1829.572169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.572169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.572169 (E_RNA)
where:
Base-Base interactions energy: -1160.114
where: short stacking energy: -511.061
Base-Backbone interact. energy: 3.180
local terms energy: -672.637973
where:
bonds (distance) C4'-P energy: -148.163
bonds (distance) P-C4' energy: -145.368
flat angles C4'-P-C4' energy: -157.616
flat angles P-C4'-P energy: -107.761
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: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1367.664279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.664279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.664279 (E_RNA)
where:
Base-Base interactions energy: -797.043
where: short stacking energy: -359.462
Base-Backbone interact. energy: 6.173
local terms energy: -576.794877
where:
bonds (distance) C4'-P energy: -150.977
bonds (distance) P-C4' energy: -162.119
flat angles C4'-P-C4' energy: -134.595
flat angles P-C4'-P energy: -85.751
tors. eta vs tors. theta energy: -43.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1122.913634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.913634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.913634 (E_RNA)
where:
Base-Base interactions energy: -606.293
where: short stacking energy: -299.976
Base-Backbone interact. energy: 1.179
local terms energy: -517.798947
where:
bonds (distance) C4'-P energy: -158.804
bonds (distance) P-C4' energy: -136.959
flat angles C4'-P-C4' energy: -129.526
flat angles P-C4'-P energy: -73.538
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -858.807512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.807512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.807512 (E_RNA)
where:
Base-Base interactions energy: -387.406
where: short stacking energy: -235.493
Base-Backbone interact. energy: 3.499
local terms energy: -474.900861
where:
bonds (distance) C4'-P energy: -131.299
bonds (distance) P-C4' energy: -156.389
flat angles C4'-P-C4' energy: -129.984
flat angles P-C4'-P energy: -68.881
tors. eta vs tors. theta energy: 11.651
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: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -3172.452973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3172.452973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3172.452973 (E_RNA)
where:
Base-Base interactions energy: -2200.323
where: short stacking energy: -890.425
Base-Backbone interact. energy: -1.828
local terms energy: -970.301410
where:
bonds (distance) C4'-P energy: -174.144
bonds (distance) P-C4' energy: -181.679
flat angles C4'-P-C4' energy: -205.991
flat angles P-C4'-P energy: -145.793
tors. eta vs tors. theta energy: -262.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2985.264274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.264274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.264274 (E_RNA)
where:
Base-Base interactions energy: -2003.951
where: short stacking energy: -859.413
Base-Backbone interact. energy: -3.851
local terms energy: -977.461457
where:
bonds (distance) C4'-P energy: -178.164
bonds (distance) P-C4' energy: -194.920
flat angles C4'-P-C4' energy: -199.616
flat angles P-C4'-P energy: -137.193
tors. eta vs tors. theta energy: -267.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2844.975260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.975260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.975260 (E_RNA)
where:
Base-Base interactions energy: -1959.416
where: short stacking energy: -838.948
Base-Backbone interact. energy: 3.107
local terms energy: -888.667192
where:
bonds (distance) C4'-P energy: -141.194
bonds (distance) P-C4' energy: -183.157
flat angles C4'-P-C4' energy: -192.983
flat angles P-C4'-P energy: -126.307
tors. eta vs tors. theta energy: -245.027
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: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2618.685549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.685549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.685549 (E_RNA)
where:
Base-Base interactions energy: -1732.443
where: short stacking energy: -788.423
Base-Backbone interact. energy: -1.253
local terms energy: -884.988723
where:
bonds (distance) C4'-P energy: -158.758
bonds (distance) P-C4' energy: -162.118
flat angles C4'-P-C4' energy: -188.088
flat angles P-C4'-P energy: -127.161
tors. eta vs tors. theta energy: -248.863
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: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2589.893478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.893478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.893478 (E_RNA)
where:
Base-Base interactions energy: -1767.496
where: short stacking energy: -753.279
Base-Backbone interact. energy: -2.436
local terms energy: -819.961419
where:
bonds (distance) C4'-P energy: -141.601
bonds (distance) P-C4' energy: -169.435
flat angles C4'-P-C4' energy: -173.714
flat angles P-C4'-P energy: -115.665
tors. eta vs tors. theta energy: -219.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2371.026844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.026844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.026844 (E_RNA)
where:
Base-Base interactions energy: -1570.779
where: short stacking energy: -655.948
Base-Backbone interact. energy: -2.875
local terms energy: -797.372971
where:
bonds (distance) C4'-P energy: -156.563
bonds (distance) P-C4' energy: -156.002
flat angles C4'-P-C4' energy: -182.188
flat angles P-C4'-P energy: -123.938
tors. eta vs tors. theta energy: -178.682
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: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1858.257201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.257201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.257201 (E_RNA)
where:
Base-Base interactions energy: -1190.308
where: short stacking energy: -523.238
Base-Backbone interact. energy: -0.726
local terms energy: -667.223046
where:
bonds (distance) C4'-P energy: -144.933
bonds (distance) P-C4' energy: -143.756
flat angles C4'-P-C4' energy: -158.007
flat angles P-C4'-P energy: -98.298
tors. eta vs tors. theta energy: -122.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1398.505424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.505424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.505424 (E_RNA)
where:
Base-Base interactions energy: -777.157
where: short stacking energy: -402.353
Base-Backbone interact. energy: -1.875
local terms energy: -619.473219
where:
bonds (distance) C4'-P energy: -136.291
bonds (distance) P-C4' energy: -174.360
flat angles C4'-P-C4' energy: -161.935
flat angles P-C4'-P energy: -85.986
tors. eta vs tors. theta energy: -60.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1144.011631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.011631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.011631 (E_RNA)
where:
Base-Base interactions energy: -598.261
where: short stacking energy: -312.922
Base-Backbone interact. energy: -2.003
local terms energy: -543.747474
where:
bonds (distance) C4'-P energy: -127.809
bonds (distance) P-C4' energy: -172.931
flat angles C4'-P-C4' energy: -143.626
flat angles P-C4'-P energy: -76.497
tors. eta vs tors. theta energy: -22.884
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: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -862.877396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.877396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.877396 (E_RNA)
where:
Base-Base interactions energy: -350.003
where: short stacking energy: -224.713
Base-Backbone interact. energy: 8.371
local terms energy: -521.245449
where:
bonds (distance) C4'-P energy: -135.806
bonds (distance) P-C4' energy: -167.099
flat angles C4'-P-C4' energy: -145.447
flat angles P-C4'-P energy: -90.012
tors. eta vs tors. theta energy: 17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -3127.529986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3127.529986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3127.529986 (E_RNA)
where:
Base-Base interactions energy: -2185.987
where: short stacking energy: -850.156
Base-Backbone interact. energy: -2.215
local terms energy: -939.328038
where:
bonds (distance) C4'-P energy: -169.804
bonds (distance) P-C4' energy: -184.375
flat angles C4'-P-C4' energy: -203.920
flat angles P-C4'-P energy: -135.878
tors. eta vs tors. theta energy: -245.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -3016.854813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.854813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.854813 (E_RNA)
where:
Base-Base interactions energy: -2039.979
where: short stacking energy: -858.461
Base-Backbone interact. energy: -3.286
local terms energy: -973.589460
where:
bonds (distance) C4'-P energy: -171.053
bonds (distance) P-C4' energy: -189.647
flat angles C4'-P-C4' energy: -193.346
flat angles P-C4'-P energy: -133.803
tors. eta vs tors. theta energy: -285.741
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: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2838.842548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.842548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.842548 (E_RNA)
where:
Base-Base interactions energy: -1925.226
where: short stacking energy: -793.761
Base-Backbone interact. energy: -6.383
local terms energy: -907.234359
where:
bonds (distance) C4'-P energy: -174.014
bonds (distance) P-C4' energy: -176.487
flat angles C4'-P-C4' energy: -202.020
flat angles P-C4'-P energy: -110.512
tors. eta vs tors. theta energy: -244.201
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: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2640.243935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.243935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.243935 (E_RNA)
where:
Base-Base interactions energy: -1756.896
where: short stacking energy: -790.472
Base-Backbone interact. energy: 0.941
local terms energy: -884.289167
where:
bonds (distance) C4'-P energy: -141.494
bonds (distance) P-C4' energy: -171.678
flat angles C4'-P-C4' energy: -195.734
flat angles P-C4'-P energy: -134.070
tors. eta vs tors. theta energy: -241.314
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: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2604.097379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.097379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.097379 (E_RNA)
where:
Base-Base interactions energy: -1764.420
where: short stacking energy: -744.184
Base-Backbone interact. energy: -2.859
local terms energy: -836.818512
where:
bonds (distance) C4'-P energy: -164.627
bonds (distance) P-C4' energy: -167.971
flat angles C4'-P-C4' energy: -183.393
flat angles P-C4'-P energy: -112.967
tors. eta vs tors. theta energy: -207.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2248.069948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.069948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.069948 (E_RNA)
where:
Base-Base interactions energy: -1486.205
where: short stacking energy: -640.286
Base-Backbone interact. energy: 3.149
local terms energy: -765.014083
where:
bonds (distance) C4'-P energy: -148.337
bonds (distance) P-C4' energy: -169.799
flat angles C4'-P-C4' energy: -172.267
flat angles P-C4'-P energy: -108.312
tors. eta vs tors. theta energy: -166.300
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1848.796146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.796146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.796146 (E_RNA)
where:
Base-Base interactions energy: -1200.119
where: short stacking energy: -554.620
Base-Backbone interact. energy: 3.874
local terms energy: -652.551275
where:
bonds (distance) C4'-P energy: -138.749
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -159.371
flat angles P-C4'-P energy: -102.476
tors. eta vs tors. theta energy: -111.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1389.462182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.462182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.462182 (E_RNA)
where:
Base-Base interactions energy: -812.579
where: short stacking energy: -411.464
Base-Backbone interact. energy: -1.157
local terms energy: -575.726547
where:
bonds (distance) C4'-P energy: -161.163
bonds (distance) P-C4' energy: -138.852
flat angles C4'-P-C4' energy: -140.661
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -58.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1106.033840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.033840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.033840 (E_RNA)
where:
Base-Base interactions energy: -589.305
where: short stacking energy: -293.348
Base-Backbone interact. energy: -2.442
local terms energy: -514.287478
where:
bonds (distance) C4'-P energy: -141.484
bonds (distance) P-C4' energy: -138.165
flat angles C4'-P-C4' energy: -119.254
flat angles P-C4'-P energy: -90.360
tors. eta vs tors. theta energy: -25.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -825.274974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.274974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.274974 (E_RNA)
where:
Base-Base interactions energy: -387.541
where: short stacking energy: -244.977
Base-Backbone interact. energy: -4.797
local terms energy: -432.936991
where:
bonds (distance) C4'-P energy: -147.400
bonds (distance) P-C4' energy: -145.155
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -55.494
tors. eta vs tors. theta energy: 19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -3181.571711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3181.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3181.571711 (E_RNA)
where:
Base-Base interactions energy: -2251.471
where: short stacking energy: -894.356
Base-Backbone interact. energy: -0.958
local terms energy: -929.143145
where:
bonds (distance) C4'-P energy: -181.220
bonds (distance) P-C4' energy: -168.673
flat angles C4'-P-C4' energy: -201.179
flat angles P-C4'-P energy: -128.474
tors. eta vs tors. theta energy: -249.598
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: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -3036.987146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.987146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.987146 (E_RNA)
where:
Base-Base interactions energy: -2096.335
where: short stacking energy: -892.382
Base-Backbone interact. energy: -3.239
local terms energy: -937.413075
where:
bonds (distance) C4'-P energy: -168.257
bonds (distance) P-C4' energy: -163.379
flat angles C4'-P-C4' energy: -193.106
flat angles P-C4'-P energy: -131.802
tors. eta vs tors. theta energy: -280.870
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: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2806.512383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.512383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.512383 (E_RNA)
where:
Base-Base interactions energy: -1912.866
where: short stacking energy: -806.323
Base-Backbone interact. energy: -3.290
local terms energy: -890.356190
where:
bonds (distance) C4'-P energy: -185.712
bonds (distance) P-C4' energy: -185.177
flat angles C4'-P-C4' energy: -184.977
flat angles P-C4'-P energy: -116.296
tors. eta vs tors. theta energy: -218.194
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: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2634.875361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.875361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.875361 (E_RNA)
where:
Base-Base interactions energy: -1740.091
where: short stacking energy: -772.321
Base-Backbone interact. energy: -4.340
local terms energy: -890.443598
where:
bonds (distance) C4'-P energy: -158.191
bonds (distance) P-C4' energy: -167.932
flat angles C4'-P-C4' energy: -200.145
flat angles P-C4'-P energy: -127.775
tors. eta vs tors. theta energy: -236.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2576.126046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.126046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.126046 (E_RNA)
where:
Base-Base interactions energy: -1783.330
where: short stacking energy: -775.651
Base-Backbone interact. energy: -0.364
local terms energy: -792.432359
where:
bonds (distance) C4'-P energy: -134.978
bonds (distance) P-C4' energy: -144.870
flat angles C4'-P-C4' energy: -181.646
flat angles P-C4'-P energy: -130.201
tors. eta vs tors. theta energy: -200.738
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: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2279.981757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.981757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.981757 (E_RNA)
where:
Base-Base interactions energy: -1494.939
where: short stacking energy: -609.546
Base-Backbone interact. energy: -3.987
local terms energy: -781.055421
where:
bonds (distance) C4'-P energy: -161.579
bonds (distance) P-C4' energy: -171.834
flat angles C4'-P-C4' energy: -167.919
flat angles P-C4'-P energy: -111.142
tors. eta vs tors. theta energy: -168.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1870.469905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.469905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.469905 (E_RNA)
where:
Base-Base interactions energy: -1169.702
where: short stacking energy: -548.744
Base-Backbone interact. energy: -2.456
local terms energy: -698.312326
where:
bonds (distance) C4'-P energy: -131.620
bonds (distance) P-C4' energy: -149.892
flat angles C4'-P-C4' energy: -180.765
flat angles P-C4'-P energy: -109.237
tors. eta vs tors. theta energy: -126.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1340.575229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.575229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.575229 (E_RNA)
where:
Base-Base interactions energy: -744.590
where: short stacking energy: -381.505
Base-Backbone interact. energy: -2.006
local terms energy: -593.979067
where:
bonds (distance) C4'-P energy: -158.745
bonds (distance) P-C4' energy: -166.128
flat angles C4'-P-C4' energy: -151.376
flat angles P-C4'-P energy: -88.820
tors. eta vs tors. theta energy: -28.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1137.811525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.811525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.811525 (E_RNA)
where:
Base-Base interactions energy: -610.351
where: short stacking energy: -333.261
Base-Backbone interact. energy: 0.762
local terms energy: -528.222525
where:
bonds (distance) C4'-P energy: -154.103
bonds (distance) P-C4' energy: -146.481
flat angles C4'-P-C4' energy: -141.222
flat angles P-C4'-P energy: -77.612
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -768.000590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.000590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.000590 (E_RNA)
where:
Base-Base interactions energy: -311.890
where: short stacking energy: -191.773
Base-Backbone interact. energy: -1.228
local terms energy: -454.883063
where:
bonds (distance) C4'-P energy: -146.620
bonds (distance) P-C4' energy: -154.540
flat angles C4'-P-C4' energy: -126.263
flat angles P-C4'-P energy: -74.330
tors. eta vs tors. theta energy: 46.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -3174.522678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3174.522678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3174.522678 (E_RNA)
where:
Base-Base interactions energy: -2243.901
where: short stacking energy: -892.801
Base-Backbone interact. energy: 0.989
local terms energy: -931.610700
where:
bonds (distance) C4'-P energy: -194.347
bonds (distance) P-C4' energy: -165.198
flat angles C4'-P-C4' energy: -207.017
flat angles P-C4'-P energy: -118.048
tors. eta vs tors. theta energy: -247.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2998.784946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.784946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.784946 (E_RNA)
where:
Base-Base interactions energy: -2053.531
where: short stacking energy: -857.985
Base-Backbone interact. energy: -4.585
local terms energy: -940.669640
where:
bonds (distance) C4'-P energy: -166.054
bonds (distance) P-C4' energy: -173.308
flat angles C4'-P-C4' energy: -194.585
flat angles P-C4'-P energy: -139.424
tors. eta vs tors. theta energy: -267.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2768.891282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.891282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.891282 (E_RNA)
where:
Base-Base interactions energy: -1888.109
where: short stacking energy: -766.279
Base-Backbone interact. energy: -6.281
local terms energy: -874.501068
where:
bonds (distance) C4'-P energy: -170.655
bonds (distance) P-C4' energy: -170.989
flat angles C4'-P-C4' energy: -190.595
flat angles P-C4'-P energy: -131.671
tors. eta vs tors. theta energy: -210.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2640.865230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.865230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.865230 (E_RNA)
where:
Base-Base interactions energy: -1776.444
where: short stacking energy: -777.652
Base-Backbone interact. energy: -4.605
local terms energy: -859.815913
where:
bonds (distance) C4'-P energy: -151.206
bonds (distance) P-C4' energy: -182.946
flat angles C4'-P-C4' energy: -192.320
flat angles P-C4'-P energy: -103.881
tors. eta vs tors. theta energy: -229.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2563.498744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.498744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.498744 (E_RNA)
where:
Base-Base interactions energy: -1699.293
where: short stacking energy: -747.127
Base-Backbone interact. energy: -1.609
local terms energy: -862.596767
where:
bonds (distance) C4'-P energy: -173.732
bonds (distance) P-C4' energy: -169.198
flat angles C4'-P-C4' energy: -170.008
flat angles P-C4'-P energy: -113.852
tors. eta vs tors. theta energy: -235.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2213.323875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.323875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.323875 (E_RNA)
where:
Base-Base interactions energy: -1441.334
where: short stacking energy: -627.692
Base-Backbone interact. energy: -2.161
local terms energy: -769.829269
where:
bonds (distance) C4'-P energy: -153.067
bonds (distance) P-C4' energy: -156.857
flat angles C4'-P-C4' energy: -177.178
flat angles P-C4'-P energy: -116.578
tors. eta vs tors. theta energy: -166.150
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1871.443315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.443315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.443315 (E_RNA)
where:
Base-Base interactions energy: -1211.721
where: short stacking energy: -559.686
Base-Backbone interact. energy: -4.476
local terms energy: -655.246633
where:
bonds (distance) C4'-P energy: -132.777
bonds (distance) P-C4' energy: -163.921
flat angles C4'-P-C4' energy: -146.917
flat angles P-C4'-P energy: -96.917
tors. eta vs tors. theta energy: -114.714
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: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1322.144523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.144523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.144523 (E_RNA)
where:
Base-Base interactions energy: -762.091
where: short stacking energy: -402.724
Base-Backbone interact. energy: 3.446
local terms energy: -563.500042
where:
bonds (distance) C4'-P energy: -158.412
bonds (distance) P-C4' energy: -146.394
flat angles C4'-P-C4' energy: -126.209
flat angles P-C4'-P energy: -64.297
tors. eta vs tors. theta energy: -68.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1085.388546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.388546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.388546 (E_RNA)
where:
Base-Base interactions energy: -597.541
where: short stacking energy: -313.546
Base-Backbone interact. energy: 5.375
local terms energy: -493.222665
where:
bonds (distance) C4'-P energy: -152.649
bonds (distance) P-C4' energy: -138.291
flat angles C4'-P-C4' energy: -115.622
flat angles P-C4'-P energy: -63.472
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -771.945258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.945258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.945258 (E_RNA)
where:
Base-Base interactions energy: -350.413
where: short stacking energy: -232.671
Base-Backbone interact. energy: 4.136
local terms energy: -425.668214
where:
bonds (distance) C4'-P energy: -134.033
bonds (distance) P-C4' energy: -122.214
flat angles C4'-P-C4' energy: -115.929
flat angles P-C4'-P energy: -84.016
tors. eta vs tors. theta energy: 30.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -3177.955516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3177.955516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3177.955516 (E_RNA)
where:
Base-Base interactions energy: -2224.073
where: short stacking energy: -890.588
Base-Backbone interact. energy: -5.572
local terms energy: -948.310954
where:
bonds (distance) C4'-P energy: -178.273
bonds (distance) P-C4' energy: -178.214
flat angles C4'-P-C4' energy: -209.680
flat angles P-C4'-P energy: -126.290
tors. eta vs tors. theta energy: -255.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -3003.465235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.465235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.465235 (E_RNA)
where:
Base-Base interactions energy: -2030.748
where: short stacking energy: -882.863
Base-Backbone interact. energy: -2.074
local terms energy: -970.643643
where:
bonds (distance) C4'-P energy: -171.414
bonds (distance) P-C4' energy: -191.102
flat angles C4'-P-C4' energy: -195.221
flat angles P-C4'-P energy: -135.287
tors. eta vs tors. theta energy: -277.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2814.655002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.655002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.655002 (E_RNA)
where:
Base-Base interactions energy: -1925.770
where: short stacking energy: -797.094
Base-Backbone interact. energy: -0.324
local terms energy: -888.561018
where:
bonds (distance) C4'-P energy: -162.545
bonds (distance) P-C4' energy: -179.151
flat angles C4'-P-C4' energy: -195.988
flat angles P-C4'-P energy: -130.307
tors. eta vs tors. theta energy: -220.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2731.354533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.354533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.354533 (E_RNA)
where:
Base-Base interactions energy: -1859.152
where: short stacking energy: -801.611
Base-Backbone interact. energy: -2.938
local terms energy: -869.264545
where:
bonds (distance) C4'-P energy: -150.159
bonds (distance) P-C4' energy: -164.602
flat angles C4'-P-C4' energy: -191.749
flat angles P-C4'-P energy: -131.632
tors. eta vs tors. theta energy: -231.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2527.398166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.398166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.398166 (E_RNA)
where:
Base-Base interactions energy: -1719.774
where: short stacking energy: -749.066
Base-Backbone interact. energy: 3.070
local terms energy: -810.694832
where:
bonds (distance) C4'-P energy: -145.521
bonds (distance) P-C4' energy: -158.790
flat angles C4'-P-C4' energy: -185.452
flat angles P-C4'-P energy: -104.493
tors. eta vs tors. theta energy: -216.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2174.218866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.218866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.218866 (E_RNA)
where:
Base-Base interactions energy: -1405.274
where: short stacking energy: -628.903
Base-Backbone interact. energy: -1.611
local terms energy: -767.333554
where:
bonds (distance) C4'-P energy: -152.826
bonds (distance) P-C4' energy: -175.051
flat angles C4'-P-C4' energy: -166.338
flat angles P-C4'-P energy: -108.224
tors. eta vs tors. theta energy: -164.895
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: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1884.676258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.676258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.676258 (E_RNA)
where:
Base-Base interactions energy: -1221.290
where: short stacking energy: -545.564
Base-Backbone interact. energy: -1.448
local terms energy: -661.937531
where:
bonds (distance) C4'-P energy: -121.466
bonds (distance) P-C4' energy: -155.320
flat angles C4'-P-C4' energy: -161.235
flat angles P-C4'-P energy: -97.032
tors. eta vs tors. theta energy: -126.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1263.752622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.752622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.752622 (E_RNA)
where:
Base-Base interactions energy: -703.033
where: short stacking energy: -369.525
Base-Backbone interact. energy: -3.299
local terms energy: -557.421027
where:
bonds (distance) C4'-P energy: -159.007
bonds (distance) P-C4' energy: -147.018
flat angles C4'-P-C4' energy: -129.362
flat angles P-C4'-P energy: -77.911
tors. eta vs tors. theta energy: -44.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1107.092987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.092987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.092987 (E_RNA)
where:
Base-Base interactions energy: -558.139
where: short stacking energy: -288.726
Base-Backbone interact. energy: -0.599
local terms energy: -548.355127
where:
bonds (distance) C4'-P energy: -150.021
bonds (distance) P-C4' energy: -176.125
flat angles C4'-P-C4' energy: -124.421
flat angles P-C4'-P energy: -86.857
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -756.843882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.843882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.843882 (E_RNA)
where:
Base-Base interactions energy: -329.987
where: short stacking energy: -243.728
Base-Backbone interact. energy: 1.074
local terms energy: -427.930685
where:
bonds (distance) C4'-P energy: -128.786
bonds (distance) P-C4' energy: -142.247
flat angles C4'-P-C4' energy: -100.768
flat angles P-C4'-P energy: -71.679
tors. eta vs tors. theta energy: 15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -3178.193702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3178.193702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3178.193702 (E_RNA)
where:
Base-Base interactions energy: -2217.047
where: short stacking energy: -897.673
Base-Backbone interact. energy: -2.461
local terms energy: -958.685857
where:
bonds (distance) C4'-P energy: -189.725
bonds (distance) P-C4' energy: -164.766
flat angles C4'-P-C4' energy: -206.422
flat angles P-C4'-P energy: -140.504
tors. eta vs tors. theta energy: -257.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2977.080503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.080503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.080503 (E_RNA)
where:
Base-Base interactions energy: -2001.447
where: short stacking energy: -837.260
Base-Backbone interact. energy: -3.463
local terms energy: -972.169973
where:
bonds (distance) C4'-P energy: -170.020
bonds (distance) P-C4' energy: -180.199
flat angles C4'-P-C4' energy: -207.873
flat angles P-C4'-P energy: -135.184
tors. eta vs tors. theta energy: -278.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2805.113341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.113341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.113341 (E_RNA)
where:
Base-Base interactions energy: -1916.956
where: short stacking energy: -804.836
Base-Backbone interact. energy: -3.217
local terms energy: -884.940553
where:
bonds (distance) C4'-P energy: -171.132
bonds (distance) P-C4' energy: -183.209
flat angles C4'-P-C4' energy: -187.044
flat angles P-C4'-P energy: -117.617
tors. eta vs tors. theta energy: -225.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2739.087497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.087497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.087497 (E_RNA)
where:
Base-Base interactions energy: -1860.548
where: short stacking energy: -773.332
Base-Backbone interact. energy: -7.844
local terms energy: -870.696417
where:
bonds (distance) C4'-P energy: -161.179
bonds (distance) P-C4' energy: -168.831
flat angles C4'-P-C4' energy: -193.632
flat angles P-C4'-P energy: -125.788
tors. eta vs tors. theta energy: -221.266
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: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2570.750887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.750887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.750887 (E_RNA)
where:
Base-Base interactions energy: -1716.132
where: short stacking energy: -750.894
Base-Backbone interact. energy: 0.088
local terms energy: -854.706826
where:
bonds (distance) C4'-P energy: -148.575
bonds (distance) P-C4' energy: -178.009
flat angles C4'-P-C4' energy: -181.803
flat angles P-C4'-P energy: -118.213
tors. eta vs tors. theta energy: -228.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2214.832117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.832117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.832117 (E_RNA)
where:
Base-Base interactions energy: -1456.153
where: short stacking energy: -615.364
Base-Backbone interact. energy: -1.964
local terms energy: -756.715207
where:
bonds (distance) C4'-P energy: -164.690
bonds (distance) P-C4' energy: -158.999
flat angles C4'-P-C4' energy: -177.887
flat angles P-C4'-P energy: -90.877
tors. eta vs tors. theta energy: -164.261
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: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1848.735071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.735071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.735071 (E_RNA)
where:
Base-Base interactions energy: -1145.697
where: short stacking energy: -513.979
Base-Backbone interact. energy: -3.507
local terms energy: -699.531002
where:
bonds (distance) C4'-P energy: -152.062
bonds (distance) P-C4' energy: -139.338
flat angles C4'-P-C4' energy: -164.740
flat angles P-C4'-P energy: -114.922
tors. eta vs tors. theta energy: -128.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1313.946942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.946942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.946942 (E_RNA)
where:
Base-Base interactions energy: -743.761
where: short stacking energy: -377.631
Base-Backbone interact. energy: -2.250
local terms energy: -567.935174
where:
bonds (distance) C4'-P energy: -138.280
bonds (distance) P-C4' energy: -121.687
flat angles C4'-P-C4' energy: -157.299
flat angles P-C4'-P energy: -105.587
tors. eta vs tors. theta energy: -45.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1037.095909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.095909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.095909 (E_RNA)
where:
Base-Base interactions energy: -581.743
where: short stacking energy: -294.559
Base-Backbone interact. energy: 3.956
local terms energy: -459.308552
where:
bonds (distance) C4'-P energy: -149.014
bonds (distance) P-C4' energy: -131.019
flat angles C4'-P-C4' energy: -125.546
flat angles P-C4'-P energy: -51.447
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -760.935975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.935975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.935975 (E_RNA)
where:
Base-Base interactions energy: -312.566
where: short stacking energy: -235.054
Base-Backbone interact. energy: 9.851
local terms energy: -458.221305
where:
bonds (distance) C4'-P energy: -150.249
bonds (distance) P-C4' energy: -151.302
flat angles C4'-P-C4' energy: -129.818
flat angles P-C4'-P energy: -46.009
tors. eta vs tors. theta energy: 19.156
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: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -3190.066983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3190.066983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3190.066983 (E_RNA)
where:
Base-Base interactions energy: -2215.593
where: short stacking energy: -913.467
Base-Backbone interact. energy: -7.205
local terms energy: -967.269463
where:
bonds (distance) C4'-P energy: -189.580
bonds (distance) P-C4' energy: -169.081
flat angles C4'-P-C4' energy: -202.737
flat angles P-C4'-P energy: -147.667
tors. eta vs tors. theta energy: -258.205
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: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -3006.581193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.581193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.581193 (E_RNA)
where:
Base-Base interactions energy: -2045.175
where: short stacking energy: -872.037
Base-Backbone interact. energy: -3.731
local terms energy: -957.675072
where:
bonds (distance) C4'-P energy: -176.126
bonds (distance) P-C4' energy: -173.195
flat angles C4'-P-C4' energy: -199.024
flat angles P-C4'-P energy: -137.469
tors. eta vs tors. theta energy: -271.861
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: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2830.444007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.444007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.444007 (E_RNA)
where:
Base-Base interactions energy: -1924.406
where: short stacking energy: -798.068
Base-Backbone interact. energy: -0.495
local terms energy: -905.542296
where:
bonds (distance) C4'-P energy: -170.693
bonds (distance) P-C4' energy: -162.254
flat angles C4'-P-C4' energy: -198.681
flat angles P-C4'-P energy: -124.386
tors. eta vs tors. theta energy: -249.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2776.558376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.558376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.558376 (E_RNA)
where:
Base-Base interactions energy: -1886.631
where: short stacking energy: -814.012
Base-Backbone interact. energy: -2.412
local terms energy: -887.515696
where:
bonds (distance) C4'-P energy: -164.816
bonds (distance) P-C4' energy: -165.519
flat angles C4'-P-C4' energy: -189.695
flat angles P-C4'-P energy: -119.884
tors. eta vs tors. theta energy: -247.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2550.823372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.823372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.823372 (E_RNA)
where:
Base-Base interactions energy: -1712.164
where: short stacking energy: -718.406
Base-Backbone interact. energy: -2.944
local terms energy: -835.715221
where:
bonds (distance) C4'-P energy: -168.137
bonds (distance) P-C4' energy: -160.534
flat angles C4'-P-C4' energy: -178.940
flat angles P-C4'-P energy: -118.582
tors. eta vs tors. theta energy: -209.522
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: 458
Temperature: 1.150000
Total energy: -2156.370248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.370248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.370248 (E_RNA)
where:
Base-Base interactions energy: -1431.439
where: short stacking energy: -629.188
Base-Backbone interact. energy: 3.289
local terms energy: -728.219496
where:
bonds (distance) C4'-P energy: -137.372
bonds (distance) P-C4' energy: -164.966
flat angles C4'-P-C4' energy: -158.648
flat angles P-C4'-P energy: -111.894
tors. eta vs tors. theta energy: -155.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1856.091679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.091679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.091679 (E_RNA)
where:
Base-Base interactions energy: -1190.277
where: short stacking energy: -542.543
Base-Backbone interact. energy: -2.822
local terms energy: -662.992908
where:
bonds (distance) C4'-P energy: -147.258
bonds (distance) P-C4' energy: -156.352
flat angles C4'-P-C4' energy: -163.338
flat angles P-C4'-P energy: -82.449
tors. eta vs tors. theta energy: -113.596
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: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1306.848042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.848042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.848042 (E_RNA)
where:
Base-Base interactions energy: -739.744
where: short stacking energy: -399.595
Base-Backbone interact. energy: -5.181
local terms energy: -561.922648
where:
bonds (distance) C4'-P energy: -155.045
bonds (distance) P-C4' energy: -168.418
flat angles C4'-P-C4' energy: -124.692
flat angles P-C4'-P energy: -75.751
tors. eta vs tors. theta energy: -38.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1026.905356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.905356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.905356 (E_RNA)
where:
Base-Base interactions energy: -526.907
where: short stacking energy: -295.970
Base-Backbone interact. energy: -2.105
local terms energy: -497.893443
where:
bonds (distance) C4'-P energy: -145.629
bonds (distance) P-C4' energy: -145.743
flat angles C4'-P-C4' energy: -121.307
flat angles P-C4'-P energy: -85.197
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -778.380303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.380303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.380303 (E_RNA)
where:
Base-Base interactions energy: -304.915
where: short stacking energy: -222.827
Base-Backbone interact. energy: 5.658
local terms energy: -479.124222
where:
bonds (distance) C4'-P energy: -146.818
bonds (distance) P-C4' energy: -166.822
flat angles C4'-P-C4' energy: -109.436
flat angles P-C4'-P energy: -94.620
tors. eta vs tors. theta energy: 38.571
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -3152.799679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3152.799679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3152.799679 (E_RNA)
where:
Base-Base interactions energy: -2179.263
where: short stacking energy: -901.522
Base-Backbone interact. energy: -6.637
local terms energy: -966.899836
where:
bonds (distance) C4'-P energy: -177.082
bonds (distance) P-C4' energy: -190.982
flat angles C4'-P-C4' energy: -209.837
flat angles P-C4'-P energy: -129.725
tors. eta vs tors. theta energy: -259.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -3013.881876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.881876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.881876 (E_RNA)
where:
Base-Base interactions energy: -2060.065
where: short stacking energy: -918.136
Base-Backbone interact. energy: -3.015
local terms energy: -950.802091
where:
bonds (distance) C4'-P energy: -165.509
bonds (distance) P-C4' energy: -159.005
flat angles C4'-P-C4' energy: -203.839
flat angles P-C4'-P energy: -138.060
tors. eta vs tors. theta energy: -284.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2857.648063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.648063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.648063 (E_RNA)
where:
Base-Base interactions energy: -1936.198
where: short stacking energy: -805.358
Base-Backbone interact. energy: -3.939
local terms energy: -917.511073
where:
bonds (distance) C4'-P energy: -178.327
bonds (distance) P-C4' energy: -180.694
flat angles C4'-P-C4' energy: -190.016
flat angles P-C4'-P energy: -117.775
tors. eta vs tors. theta energy: -250.698
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: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2746.249585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.249585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.249585 (E_RNA)
where:
Base-Base interactions energy: -1849.144
where: short stacking energy: -793.308
Base-Backbone interact. energy: -4.448
local terms energy: -892.656892
where:
bonds (distance) C4'-P energy: -157.662
bonds (distance) P-C4' energy: -175.500
flat angles C4'-P-C4' energy: -191.804
flat angles P-C4'-P energy: -128.324
tors. eta vs tors. theta energy: -239.367
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: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2560.454322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.454322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.454322 (E_RNA)
where:
Base-Base interactions energy: -1733.159
where: short stacking energy: -754.287
Base-Backbone interact. energy: -1.701
local terms energy: -825.594057
where:
bonds (distance) C4'-P energy: -148.779
bonds (distance) P-C4' energy: -157.812
flat angles C4'-P-C4' energy: -182.142
flat angles P-C4'-P energy: -110.159
tors. eta vs tors. theta energy: -226.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2194.594109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.594109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.594109 (E_RNA)
where:
Base-Base interactions energy: -1430.026
where: short stacking energy: -613.918
Base-Backbone interact. energy: -5.662
local terms energy: -758.906165
where:
bonds (distance) C4'-P energy: -154.744
bonds (distance) P-C4' energy: -159.688
flat angles C4'-P-C4' energy: -165.265
flat angles P-C4'-P energy: -115.943
tors. eta vs tors. theta energy: -163.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1926.974179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.974179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.974179 (E_RNA)
where:
Base-Base interactions energy: -1247.330
where: short stacking energy: -536.130
Base-Backbone interact. energy: 0.763
local terms energy: -680.407093
where:
bonds (distance) C4'-P energy: -149.468
bonds (distance) P-C4' energy: -170.723
flat angles C4'-P-C4' energy: -151.776
flat angles P-C4'-P energy: -85.565
tors. eta vs tors. theta energy: -122.874
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: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1307.708763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.708763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.708763 (E_RNA)
where:
Base-Base interactions energy: -731.229
where: short stacking energy: -392.771
Base-Backbone interact. energy: 1.838
local terms energy: -578.317220
where:
bonds (distance) C4'-P energy: -130.386
bonds (distance) P-C4' energy: -166.989
flat angles C4'-P-C4' energy: -156.252
flat angles P-C4'-P energy: -77.348
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1078.215871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.215871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.215871 (E_RNA)
where:
Base-Base interactions energy: -554.636
where: short stacking energy: -283.574
Base-Backbone interact. energy: 3.963
local terms energy: -527.543236
where:
bonds (distance) C4'-P energy: -158.563
bonds (distance) P-C4' energy: -141.692
flat angles C4'-P-C4' energy: -135.659
flat angles P-C4'-P energy: -84.765
tors. eta vs tors. theta energy: -6.864
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: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -737.841811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.841811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.841811 (E_RNA)
where:
Base-Base interactions energy: -287.212
where: short stacking energy: -210.777
Base-Backbone interact. energy: 10.746
local terms energy: -461.375231
where:
bonds (distance) C4'-P energy: -140.475
bonds (distance) P-C4' energy: -163.320
flat angles C4'-P-C4' energy: -106.416
flat angles P-C4'-P energy: -93.010
tors. eta vs tors. theta energy: 41.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -3131.006019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3131.006019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3131.006019 (E_RNA)
where:
Base-Base interactions energy: -2172.420
where: short stacking energy: -851.450
Base-Backbone interact. energy: -5.498
local terms energy: -953.088198
where:
bonds (distance) C4'-P energy: -176.970
bonds (distance) P-C4' energy: -184.348
flat angles C4'-P-C4' energy: -208.205
flat angles P-C4'-P energy: -131.898
tors. eta vs tors. theta energy: -251.666
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: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -3018.755442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3018.755442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.755442 (E_RNA)
where:
Base-Base interactions energy: -2041.073
where: short stacking energy: -864.524
Base-Backbone interact. energy: -2.380
local terms energy: -975.303108
where:
bonds (distance) C4'-P energy: -176.855
bonds (distance) P-C4' energy: -181.646
flat angles C4'-P-C4' energy: -203.509
flat angles P-C4'-P energy: -137.648
tors. eta vs tors. theta energy: -275.646
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: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2829.792448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.792448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.792448 (E_RNA)
where:
Base-Base interactions energy: -1961.788
where: short stacking energy: -818.809
Base-Backbone interact. energy: -3.038
local terms energy: -864.966454
where:
bonds (distance) C4'-P energy: -159.446
bonds (distance) P-C4' energy: -167.180
flat angles C4'-P-C4' energy: -180.120
flat angles P-C4'-P energy: -127.065
tors. eta vs tors. theta energy: -231.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2755.704377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.704377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.704377 (E_RNA)
where:
Base-Base interactions energy: -1875.680
where: short stacking energy: -778.806
Base-Backbone interact. energy: -5.676
local terms energy: -874.348145
where:
bonds (distance) C4'-P energy: -167.609
bonds (distance) P-C4' energy: -170.359
flat angles C4'-P-C4' energy: -185.911
flat angles P-C4'-P energy: -120.892
tors. eta vs tors. theta energy: -229.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2570.017155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.017155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.017155 (E_RNA)
where:
Base-Base interactions energy: -1736.658
where: short stacking energy: -745.410
Base-Backbone interact. energy: 1.866
local terms energy: -835.224355
where:
bonds (distance) C4'-P energy: -150.536
bonds (distance) P-C4' energy: -168.440
flat angles C4'-P-C4' energy: -184.972
flat angles P-C4'-P energy: -109.405
tors. eta vs tors. theta energy: -221.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2221.572921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.572921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.572921 (E_RNA)
where:
Base-Base interactions energy: -1484.057
where: short stacking energy: -643.720
Base-Backbone interact. energy: -2.788
local terms energy: -734.727710
where:
bonds (distance) C4'-P energy: -145.291
bonds (distance) P-C4' energy: -164.500
flat angles C4'-P-C4' energy: -161.813
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -165.318
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: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2059.602780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.602780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.602780 (E_RNA)
where:
Base-Base interactions energy: -1358.586
where: short stacking energy: -579.737
Base-Backbone interact. energy: -1.608
local terms energy: -699.408295
where:
bonds (distance) C4'-P energy: -121.587
bonds (distance) P-C4' energy: -165.731
flat angles C4'-P-C4' energy: -166.321
flat angles P-C4'-P energy: -101.633
tors. eta vs tors. theta energy: -144.136
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: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1306.835496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.835496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.835496 (E_RNA)
where:
Base-Base interactions energy: -722.398
where: short stacking energy: -379.821
Base-Backbone interact. energy: -3.229
local terms energy: -581.209052
where:
bonds (distance) C4'-P energy: -160.845
bonds (distance) P-C4' energy: -165.778
flat angles C4'-P-C4' energy: -115.456
flat angles P-C4'-P energy: -81.048
tors. eta vs tors. theta energy: -58.083
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: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1049.416502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.416502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.416502 (E_RNA)
where:
Base-Base interactions energy: -544.646
where: short stacking energy: -287.655
Base-Backbone interact. energy: 2.004
local terms energy: -506.775153
where:
bonds (distance) C4'-P energy: -123.678
bonds (distance) P-C4' energy: -142.296
flat angles C4'-P-C4' energy: -147.280
flat angles P-C4'-P energy: -83.596
tors. eta vs tors. theta energy: -9.926
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: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -730.089947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.089947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.089947 (E_RNA)
where:
Base-Base interactions energy: -274.510
where: short stacking energy: -208.526
Base-Backbone interact. energy: 11.377
local terms energy: -466.957117
where:
bonds (distance) C4'-P energy: -156.476
bonds (distance) P-C4' energy: -167.035
flat angles C4'-P-C4' energy: -125.364
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: 33.631
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: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -3164.069472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3164.069472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3164.069472 (E_RNA)
where:
Base-Base interactions energy: -2188.944
where: short stacking energy: -892.398
Base-Backbone interact. energy: -4.109
local terms energy: -971.015775
where:
bonds (distance) C4'-P energy: -184.092
bonds (distance) P-C4' energy: -191.559
flat angles C4'-P-C4' energy: -206.122
flat angles P-C4'-P energy: -136.199
tors. eta vs tors. theta energy: -253.044
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: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2963.679744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.679744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.679744 (E_RNA)
where:
Base-Base interactions energy: -2015.368
where: short stacking energy: -893.635
Base-Backbone interact. energy: -2.073
local terms energy: -946.238265
where:
bonds (distance) C4'-P energy: -164.323
bonds (distance) P-C4' energy: -185.828
flat angles C4'-P-C4' energy: -198.277
flat angles P-C4'-P energy: -130.056
tors. eta vs tors. theta energy: -267.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2812.005264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.005264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.005264 (E_RNA)
where:
Base-Base interactions energy: -1927.780
where: short stacking energy: -783.799
Base-Backbone interact. energy: -5.203
local terms energy: -879.022151
where:
bonds (distance) C4'-P energy: -161.307
bonds (distance) P-C4' energy: -168.263
flat angles C4'-P-C4' energy: -192.454
flat angles P-C4'-P energy: -123.024
tors. eta vs tors. theta energy: -233.975
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: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2780.682821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.682821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.682821 (E_RNA)
where:
Base-Base interactions energy: -1906.445
where: short stacking energy: -807.834
Base-Backbone interact. energy: -5.717
local terms energy: -868.520937
where:
bonds (distance) C4'-P energy: -150.049
bonds (distance) P-C4' energy: -163.023
flat angles C4'-P-C4' energy: -181.197
flat angles P-C4'-P energy: -136.087
tors. eta vs tors. theta energy: -238.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2558.739138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.739138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.739138 (E_RNA)
where:
Base-Base interactions energy: -1749.287
where: short stacking energy: -760.317
Base-Backbone interact. energy: -4.539
local terms energy: -804.912946
where:
bonds (distance) C4'-P energy: -155.091
bonds (distance) P-C4' energy: -168.536
flat angles C4'-P-C4' energy: -165.391
flat angles P-C4'-P energy: -106.600
tors. eta vs tors. theta energy: -209.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2243.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.513649 (E_RNA)
where:
Base-Base interactions energy: -1474.428
where: short stacking energy: -649.285
Base-Backbone interact. energy: -0.092
local terms energy: -768.992932
where:
bonds (distance) C4'-P energy: -156.494
bonds (distance) P-C4' energy: -158.769
flat angles C4'-P-C4' energy: -170.908
flat angles P-C4'-P energy: -117.001
tors. eta vs tors. theta energy: -165.821
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: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2041.287728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.287728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.287728 (E_RNA)
where:
Base-Base interactions energy: -1332.189
where: short stacking energy: -547.170
Base-Backbone interact. energy: -1.995
local terms energy: -707.103535
where:
bonds (distance) C4'-P energy: -139.307
bonds (distance) P-C4' energy: -146.787
flat angles C4'-P-C4' energy: -171.451
flat angles P-C4'-P energy: -112.526
tors. eta vs tors. theta energy: -137.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1329.962863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.962863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.962863 (E_RNA)
where:
Base-Base interactions energy: -750.743
where: short stacking energy: -398.179
Base-Backbone interact. energy: 1.067
local terms energy: -580.287508
where:
bonds (distance) C4'-P energy: -144.126
bonds (distance) P-C4' energy: -163.712
flat angles C4'-P-C4' energy: -141.019
flat angles P-C4'-P energy: -71.134
tors. eta vs tors. theta energy: -60.297
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: 461
Temperature: 1.300000
Total energy: -1001.817416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.817416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.817416 (E_RNA)
where:
Base-Base interactions energy: -515.031
where: short stacking energy: -268.027
Base-Backbone interact. energy: 0.357
local terms energy: -487.142729
where:
bonds (distance) C4'-P energy: -144.585
bonds (distance) P-C4' energy: -160.117
flat angles C4'-P-C4' energy: -142.471
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: 16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -783.269875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.269875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.269875 (E_RNA)
where:
Base-Base interactions energy: -300.447
where: short stacking energy: -218.879
Base-Backbone interact. energy: 5.462
local terms energy: -488.284774
where:
bonds (distance) C4'-P energy: -147.748
bonds (distance) P-C4' energy: -154.067
flat angles C4'-P-C4' energy: -127.733
flat angles P-C4'-P energy: -86.397
tors. eta vs tors. theta energy: 27.659
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: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -3162.293302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3162.293302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3162.293302 (E_RNA)
where:
Base-Base interactions energy: -2198.173
where: short stacking energy: -883.982
Base-Backbone interact. energy: -5.088
local terms energy: -959.032503
where:
bonds (distance) C4'-P energy: -184.074
bonds (distance) P-C4' energy: -189.277
flat angles C4'-P-C4' energy: -197.284
flat angles P-C4'-P energy: -132.435
tors. eta vs tors. theta energy: -255.963
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: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -3012.577780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.577780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.577780 (E_RNA)
where:
Base-Base interactions energy: -2039.702
where: short stacking energy: -874.554
Base-Backbone interact. energy: -3.405
local terms energy: -969.471211
where:
bonds (distance) C4'-P energy: -177.881
bonds (distance) P-C4' energy: -184.251
flat angles C4'-P-C4' energy: -198.193
flat angles P-C4'-P energy: -128.513
tors. eta vs tors. theta energy: -280.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2827.769925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.769925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.769925 (E_RNA)
where:
Base-Base interactions energy: -1925.445
where: short stacking energy: -841.653
Base-Backbone interact. energy: 0.872
local terms energy: -903.197051
where:
bonds (distance) C4'-P energy: -167.577
bonds (distance) P-C4' energy: -159.112
flat angles C4'-P-C4' energy: -203.113
flat angles P-C4'-P energy: -132.609
tors. eta vs tors. theta energy: -240.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2757.368586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.368586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.368586 (E_RNA)
where:
Base-Base interactions energy: -1903.172
where: short stacking energy: -804.979
Base-Backbone interact. energy: -1.492
local terms energy: -852.704407
where:
bonds (distance) C4'-P energy: -171.900
bonds (distance) P-C4' energy: -152.272
flat angles C4'-P-C4' energy: -187.507
flat angles P-C4'-P energy: -112.806
tors. eta vs tors. theta energy: -228.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2567.769840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.769840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.769840 (E_RNA)
where:
Base-Base interactions energy: -1713.415
where: short stacking energy: -763.197
Base-Backbone interact. energy: -1.114
local terms energy: -853.240797
where:
bonds (distance) C4'-P energy: -163.270
bonds (distance) P-C4' energy: -169.037
flat angles C4'-P-C4' energy: -187.734
flat angles P-C4'-P energy: -114.927
tors. eta vs tors. theta energy: -218.272
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: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2188.297116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.297116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.297116 (E_RNA)
where:
Base-Base interactions energy: -1441.048
where: short stacking energy: -633.617
Base-Backbone interact. energy: 4.583
local terms energy: -751.832483
where:
bonds (distance) C4'-P energy: -156.106
bonds (distance) P-C4' energy: -151.403
flat angles C4'-P-C4' energy: -168.057
flat angles P-C4'-P energy: -126.809
tors. eta vs tors. theta energy: -149.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1955.757352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.757352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.757352 (E_RNA)
where:
Base-Base interactions energy: -1245.517
where: short stacking energy: -570.094
Base-Backbone interact. energy: 0.201
local terms energy: -710.440607
where:
bonds (distance) C4'-P energy: -153.482
bonds (distance) P-C4' energy: -164.255
flat angles C4'-P-C4' energy: -165.574
flat angles P-C4'-P energy: -89.260
tors. eta vs tors. theta energy: -137.869
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: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1370.309724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.309724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.309724 (E_RNA)
where:
Base-Base interactions energy: -796.885
where: short stacking energy: -407.356
Base-Backbone interact. energy: -2.101
local terms energy: -571.323868
where:
bonds (distance) C4'-P energy: -140.767
bonds (distance) P-C4' energy: -137.095
flat angles C4'-P-C4' energy: -143.399
flat angles P-C4'-P energy: -79.721
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: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1103.319177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.319177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.319177 (E_RNA)
where:
Base-Base interactions energy: -569.894
where: short stacking energy: -307.240
Base-Backbone interact. energy: 0.707
local terms energy: -534.132150
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -150.563
flat angles C4'-P-C4' energy: -137.202
flat angles P-C4'-P energy: -82.056
tors. eta vs tors. theta energy: -35.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -786.857398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.857398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.857398 (E_RNA)
where:
Base-Base interactions energy: -322.512
where: short stacking energy: -231.278
Base-Backbone interact. energy: -2.282
local terms energy: -462.063373
where:
bonds (distance) C4'-P energy: -141.432
bonds (distance) P-C4' energy: -138.750
flat angles C4'-P-C4' energy: -141.298
flat angles P-C4'-P energy: -75.653
tors. eta vs tors. theta energy: 35.070
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: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -3131.502497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3131.502497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3131.502497 (E_RNA)
where:
Base-Base interactions energy: -2211.873
where: short stacking energy: -887.865
Base-Backbone interact. energy: 1.572
local terms energy: -921.201177
where:
bonds (distance) C4'-P energy: -158.076
bonds (distance) P-C4' energy: -175.751
flat angles C4'-P-C4' energy: -199.935
flat angles P-C4'-P energy: -131.927
tors. eta vs tors. theta energy: -255.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2981.739693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.739693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.739693 (E_RNA)
where:
Base-Base interactions energy: -2050.046
where: short stacking energy: -890.000
Base-Backbone interact. energy: -4.641
local terms energy: -927.052545
where:
bonds (distance) C4'-P energy: -160.688
bonds (distance) P-C4' energy: -180.633
flat angles C4'-P-C4' energy: -195.168
flat angles P-C4'-P energy: -120.413
tors. eta vs tors. theta energy: -270.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2829.727586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.727586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.727586 (E_RNA)
where:
Base-Base interactions energy: -1953.327
where: short stacking energy: -809.091
Base-Backbone interact. energy: -3.126
local terms energy: -873.274933
where:
bonds (distance) C4'-P energy: -161.834
bonds (distance) P-C4' energy: -166.978
flat angles C4'-P-C4' energy: -198.832
flat angles P-C4'-P energy: -103.173
tors. eta vs tors. theta energy: -242.458
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: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2734.271477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.271477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.271477 (E_RNA)
where:
Base-Base interactions energy: -1918.746
where: short stacking energy: -804.225
Base-Backbone interact. energy: -0.049
local terms energy: -815.476846
where:
bonds (distance) C4'-P energy: -154.271
bonds (distance) P-C4' energy: -158.455
flat angles C4'-P-C4' energy: -167.140
flat angles P-C4'-P energy: -124.147
tors. eta vs tors. theta energy: -211.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2568.119560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.119560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.119560 (E_RNA)
where:
Base-Base interactions energy: -1758.151
where: short stacking energy: -769.570
Base-Backbone interact. energy: -1.687
local terms energy: -808.281180
where:
bonds (distance) C4'-P energy: -141.995
bonds (distance) P-C4' energy: -154.989
flat angles C4'-P-C4' energy: -179.116
flat angles P-C4'-P energy: -121.057
tors. eta vs tors. theta energy: -211.124
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: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2155.627454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.627454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.627454 (E_RNA)
where:
Base-Base interactions energy: -1400.014
where: short stacking energy: -606.096
Base-Backbone interact. energy: -5.350
local terms energy: -750.263197
where:
bonds (distance) C4'-P energy: -157.313
bonds (distance) P-C4' energy: -161.935
flat angles C4'-P-C4' energy: -166.997
flat angles P-C4'-P energy: -116.080
tors. eta vs tors. theta energy: -147.937
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: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1958.526277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.526277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.526277 (E_RNA)
where:
Base-Base interactions energy: -1235.941
where: short stacking energy: -565.137
Base-Backbone interact. energy: -2.829
local terms energy: -719.756062
where:
bonds (distance) C4'-P energy: -165.095
bonds (distance) P-C4' energy: -158.550
flat angles C4'-P-C4' energy: -160.386
flat angles P-C4'-P energy: -100.204
tors. eta vs tors. theta energy: -135.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1327.046160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.046160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.046160 (E_RNA)
where:
Base-Base interactions energy: -780.438
where: short stacking energy: -364.922
Base-Backbone interact. energy: -0.173
local terms energy: -546.435259
where:
bonds (distance) C4'-P energy: -128.766
bonds (distance) P-C4' energy: -145.180
flat angles C4'-P-C4' energy: -142.810
flat angles P-C4'-P energy: -92.352
tors. eta vs tors. theta energy: -37.326
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: 463
Temperature: 1.300000
Total energy: -1115.349164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.349164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.349164 (E_RNA)
where:
Base-Base interactions energy: -597.229
where: short stacking energy: -333.123
Base-Backbone interact. energy: 2.589
local terms energy: -520.709806
where:
bonds (distance) C4'-P energy: -139.151
bonds (distance) P-C4' energy: -142.252
flat angles C4'-P-C4' energy: -132.952
flat angles P-C4'-P energy: -68.500
tors. eta vs tors. theta energy: -37.854
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -792.976097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.976097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.976097 (E_RNA)
where:
Base-Base interactions energy: -327.016
where: short stacking energy: -173.388
Base-Backbone interact. energy: 2.072
local terms energy: -468.032036
where:
bonds (distance) C4'-P energy: -147.933
bonds (distance) P-C4' energy: -154.720
flat angles C4'-P-C4' energy: -131.853
flat angles P-C4'-P energy: -71.822
tors. eta vs tors. theta energy: 38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -3129.529091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3129.529091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3129.529091 (E_RNA)
where:
Base-Base interactions energy: -2174.192
where: short stacking energy: -873.555
Base-Backbone interact. energy: -6.665
local terms energy: -948.672173
where:
bonds (distance) C4'-P energy: -171.413
bonds (distance) P-C4' energy: -182.333
flat angles C4'-P-C4' energy: -203.115
flat angles P-C4'-P energy: -136.446
tors. eta vs tors. theta energy: -255.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2976.966594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2976.966594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.966594 (E_RNA)
where:
Base-Base interactions energy: -2005.008
where: short stacking energy: -871.516
Base-Backbone interact. energy: 0.706
local terms energy: -972.664291
where:
bonds (distance) C4'-P energy: -175.727
bonds (distance) P-C4' energy: -169.682
flat angles C4'-P-C4' energy: -210.518
flat angles P-C4'-P energy: -136.873
tors. eta vs tors. theta energy: -279.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2808.222657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.222657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.222657 (E_RNA)
where:
Base-Base interactions energy: -1882.992
where: short stacking energy: -788.403
Base-Backbone interact. energy: -1.018
local terms energy: -924.212340
where:
bonds (distance) C4'-P energy: -156.247
bonds (distance) P-C4' energy: -194.402
flat angles C4'-P-C4' energy: -199.767
flat angles P-C4'-P energy: -132.629
tors. eta vs tors. theta energy: -241.167
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: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2722.639523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.639523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.639523 (E_RNA)
where:
Base-Base interactions energy: -1855.548
where: short stacking energy: -777.530
Base-Backbone interact. energy: -1.494
local terms energy: -865.596570
where:
bonds (distance) C4'-P energy: -168.506
bonds (distance) P-C4' energy: -168.494
flat angles C4'-P-C4' energy: -181.577
flat angles P-C4'-P energy: -121.853
tors. eta vs tors. theta energy: -225.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2528.121995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.121995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.121995 (E_RNA)
where:
Base-Base interactions energy: -1693.874
where: short stacking energy: -742.439
Base-Backbone interact. energy: -0.767
local terms energy: -833.480229
where:
bonds (distance) C4'-P energy: -159.781
bonds (distance) P-C4' energy: -173.582
flat angles C4'-P-C4' energy: -201.528
flat angles P-C4'-P energy: -92.251
tors. eta vs tors. theta energy: -206.339
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2220.381788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.381788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.381788 (E_RNA)
where:
Base-Base interactions energy: -1468.165
where: short stacking energy: -632.563
Base-Backbone interact. energy: -1.882
local terms energy: -750.334338
where:
bonds (distance) C4'-P energy: -155.944
bonds (distance) P-C4' energy: -156.242
flat angles C4'-P-C4' energy: -165.617
flat angles P-C4'-P energy: -113.690
tors. eta vs tors. theta energy: -158.842
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: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1999.142083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.142083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.142083 (E_RNA)
where:
Base-Base interactions energy: -1317.497
where: short stacking energy: -597.773
Base-Backbone interact. energy: 1.260
local terms energy: -682.905646
where:
bonds (distance) C4'-P energy: -157.100
bonds (distance) P-C4' energy: -150.323
flat angles C4'-P-C4' energy: -146.562
flat angles P-C4'-P energy: -87.665
tors. eta vs tors. theta energy: -141.256
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: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1309.140277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.140277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.140277 (E_RNA)
where:
Base-Base interactions energy: -727.457
where: short stacking energy: -378.531
Base-Backbone interact. energy: -2.694
local terms energy: -578.989050
where:
bonds (distance) C4'-P energy: -153.903
bonds (distance) P-C4' energy: -149.937
flat angles C4'-P-C4' energy: -131.342
flat angles P-C4'-P energy: -102.272
tors. eta vs tors. theta energy: -41.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1104.538183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.538183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.538183 (E_RNA)
where:
Base-Base interactions energy: -639.856
where: short stacking energy: -311.897
Base-Backbone interact. energy: 1.402
local terms energy: -466.083512
where:
bonds (distance) C4'-P energy: -141.966
bonds (distance) P-C4' energy: -138.667
flat angles C4'-P-C4' energy: -132.872
flat angles P-C4'-P energy: -48.132
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: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -761.279655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.279655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.279655 (E_RNA)
where:
Base-Base interactions energy: -316.017
where: short stacking energy: -238.390
Base-Backbone interact. energy: -0.780
local terms energy: -444.482948
where:
bonds (distance) C4'-P energy: -144.086
bonds (distance) P-C4' energy: -130.848
flat angles C4'-P-C4' energy: -119.765
flat angles P-C4'-P energy: -75.071
tors. eta vs tors. theta energy: 25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -3157.704048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3157.704048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3157.704048 (E_RNA)
where:
Base-Base interactions energy: -2201.535
where: short stacking energy: -922.781
Base-Backbone interact. energy: -5.649
local terms energy: -950.520525
where:
bonds (distance) C4'-P energy: -160.675
bonds (distance) P-C4' energy: -183.955
flat angles C4'-P-C4' energy: -204.851
flat angles P-C4'-P energy: -138.121
tors. eta vs tors. theta energy: -262.918
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: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -3029.630509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.630509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.630509 (E_RNA)
where:
Base-Base interactions energy: -2092.669
where: short stacking energy: -910.311
Base-Backbone interact. energy: 0.280
local terms energy: -937.241408
where:
bonds (distance) C4'-P energy: -166.180
bonds (distance) P-C4' energy: -183.390
flat angles C4'-P-C4' energy: -184.786
flat angles P-C4'-P energy: -125.043
tors. eta vs tors. theta energy: -277.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2866.578844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.578844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.578844 (E_RNA)
where:
Base-Base interactions energy: -1962.777
where: short stacking energy: -849.625
Base-Backbone interact. energy: -4.165
local terms energy: -899.637114
where:
bonds (distance) C4'-P energy: -158.870
bonds (distance) P-C4' energy: -160.240
flat angles C4'-P-C4' energy: -197.255
flat angles P-C4'-P energy: -132.657
tors. eta vs tors. theta energy: -250.614
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: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2681.488363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.488363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.488363 (E_RNA)
where:
Base-Base interactions energy: -1844.272
where: short stacking energy: -785.079
Base-Backbone interact. energy: -2.939
local terms energy: -834.277372
where:
bonds (distance) C4'-P energy: -167.339
bonds (distance) P-C4' energy: -166.832
flat angles C4'-P-C4' energy: -179.752
flat angles P-C4'-P energy: -111.924
tors. eta vs tors. theta energy: -208.430
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: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2569.209464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.209464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.209464 (E_RNA)
where:
Base-Base interactions energy: -1712.321
where: short stacking energy: -757.287
Base-Backbone interact. energy: 1.021
local terms energy: -857.909748
where:
bonds (distance) C4'-P energy: -161.523
bonds (distance) P-C4' energy: -170.479
flat angles C4'-P-C4' energy: -187.184
flat angles P-C4'-P energy: -117.071
tors. eta vs tors. theta energy: -221.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2234.362281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.362281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.362281 (E_RNA)
where:
Base-Base interactions energy: -1469.441
where: short stacking energy: -665.804
Base-Backbone interact. energy: -2.781
local terms energy: -762.139846
where:
bonds (distance) C4'-P energy: -154.567
bonds (distance) P-C4' energy: -158.246
flat angles C4'-P-C4' energy: -168.511
flat angles P-C4'-P energy: -107.859
tors. eta vs tors. theta energy: -172.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1936.060053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.060053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.060053 (E_RNA)
where:
Base-Base interactions energy: -1229.859
where: short stacking energy: -527.922
Base-Backbone interact. energy: -1.387
local terms energy: -704.814078
where:
bonds (distance) C4'-P energy: -148.611
bonds (distance) P-C4' energy: -175.017
flat angles C4'-P-C4' energy: -151.053
flat angles P-C4'-P energy: -99.590
tors. eta vs tors. theta energy: -130.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1360.365028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.365028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.365028 (E_RNA)
where:
Base-Base interactions energy: -753.120
where: short stacking energy: -405.448
Base-Backbone interact. energy: 11.469
local terms energy: -618.714013
where:
bonds (distance) C4'-P energy: -138.341
bonds (distance) P-C4' energy: -144.682
flat angles C4'-P-C4' energy: -155.588
flat angles P-C4'-P energy: -100.129
tors. eta vs tors. theta energy: -79.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1056.805140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.805140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.805140 (E_RNA)
where:
Base-Base interactions energy: -562.173
where: short stacking energy: -292.840
Base-Backbone interact. energy: -3.835
local terms energy: -490.797011
where:
bonds (distance) C4'-P energy: -144.782
bonds (distance) P-C4' energy: -145.852
flat angles C4'-P-C4' energy: -137.652
flat angles P-C4'-P energy: -67.496
tors. eta vs tors. theta energy: 4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -756.768861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.768861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.768861 (E_RNA)
where:
Base-Base interactions energy: -297.898
where: short stacking energy: -210.986
Base-Backbone interact. energy: 0.955
local terms energy: -459.825297
where:
bonds (distance) C4'-P energy: -143.186
bonds (distance) P-C4' energy: -142.239
flat angles C4'-P-C4' energy: -130.320
flat angles P-C4'-P energy: -76.256
tors. eta vs tors. theta energy: 32.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -3160.445660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3160.445660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3160.445660 (E_RNA)
where:
Base-Base interactions energy: -2216.108
where: short stacking energy: -882.595
Base-Backbone interact. energy: -5.496
local terms energy: -938.841802
where:
bonds (distance) C4'-P energy: -170.110
bonds (distance) P-C4' energy: -195.857
flat angles C4'-P-C4' energy: -189.816
flat angles P-C4'-P energy: -124.065
tors. eta vs tors. theta energy: -258.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -3023.304378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3023.304378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3023.304378 (E_RNA)
where:
Base-Base interactions energy: -2064.572
where: short stacking energy: -892.644
Base-Backbone interact. energy: -6.223
local terms energy: -952.509536
where:
bonds (distance) C4'-P energy: -170.209
bonds (distance) P-C4' energy: -172.253
flat angles C4'-P-C4' energy: -196.552
flat angles P-C4'-P energy: -121.663
tors. eta vs tors. theta energy: -291.832
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: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2848.495083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.495083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.495083 (E_RNA)
where:
Base-Base interactions energy: -1893.804
where: short stacking energy: -801.074
Base-Backbone interact. energy: -7.428
local terms energy: -947.262556
where:
bonds (distance) C4'-P energy: -162.010
bonds (distance) P-C4' energy: -189.816
flat angles C4'-P-C4' energy: -211.345
flat angles P-C4'-P energy: -121.256
tors. eta vs tors. theta energy: -262.836
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: 466
Temperature: 1.050000
Total energy: -2708.456217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.456217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.456217 (E_RNA)
where:
Base-Base interactions energy: -1844.788
where: short stacking energy: -770.159
Base-Backbone interact. energy: -2.489
local terms energy: -861.179614
where:
bonds (distance) C4'-P energy: -177.682
bonds (distance) P-C4' energy: -174.093
flat angles C4'-P-C4' energy: -197.259
flat angles P-C4'-P energy: -100.327
tors. eta vs tors. theta energy: -211.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2492.351916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.351916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.351916 (E_RNA)
where:
Base-Base interactions energy: -1658.584
where: short stacking energy: -717.533
Base-Backbone interact. energy: -1.094
local terms energy: -832.674500
where:
bonds (distance) C4'-P energy: -161.207
bonds (distance) P-C4' energy: -166.080
flat angles C4'-P-C4' energy: -166.665
flat angles P-C4'-P energy: -114.666
tors. eta vs tors. theta energy: -224.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2174.760176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.760176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.760176 (E_RNA)
where:
Base-Base interactions energy: -1414.938
where: short stacking energy: -637.497
Base-Backbone interact. energy: -3.165
local terms energy: -756.657523
where:
bonds (distance) C4'-P energy: -156.779
bonds (distance) P-C4' energy: -142.488
flat angles C4'-P-C4' energy: -182.164
flat angles P-C4'-P energy: -102.375
tors. eta vs tors. theta energy: -172.851
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: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1900.004480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.004480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.004480 (E_RNA)
where:
Base-Base interactions energy: -1207.309
where: short stacking energy: -540.619
Base-Backbone interact. energy: -1.502
local terms energy: -691.193082
where:
bonds (distance) C4'-P energy: -162.838
bonds (distance) P-C4' energy: -147.219
flat angles C4'-P-C4' energy: -161.925
flat angles P-C4'-P energy: -100.169
tors. eta vs tors. theta energy: -119.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1402.194552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.194552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.194552 (E_RNA)
where:
Base-Base interactions energy: -795.913
where: short stacking energy: -426.577
Base-Backbone interact. energy: 6.535
local terms energy: -612.816877
where:
bonds (distance) C4'-P energy: -151.906
bonds (distance) P-C4' energy: -139.269
flat angles C4'-P-C4' energy: -148.950
flat angles P-C4'-P energy: -89.891
tors. eta vs tors. theta energy: -82.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1028.412274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.412274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.412274 (E_RNA)
where:
Base-Base interactions energy: -538.140
where: short stacking energy: -290.829
Base-Backbone interact. energy: 3.372
local terms energy: -493.643971
where:
bonds (distance) C4'-P energy: -133.602
bonds (distance) P-C4' energy: -165.511
flat angles C4'-P-C4' energy: -123.991
flat angles P-C4'-P energy: -66.967
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -805.111541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.111541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.111541 (E_RNA)
where:
Base-Base interactions energy: -345.519
where: short stacking energy: -241.734
Base-Backbone interact. energy: -1.437
local terms energy: -458.155974
where:
bonds (distance) C4'-P energy: -160.346
bonds (distance) P-C4' energy: -155.981
flat angles C4'-P-C4' energy: -84.281
flat angles P-C4'-P energy: -59.259
tors. eta vs tors. theta energy: 1.711
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: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -3182.009152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3182.009152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3182.009152 (E_RNA)
where:
Base-Base interactions energy: -2256.807
where: short stacking energy: -909.770
Base-Backbone interact. energy: -1.259
local terms energy: -923.942316
where:
bonds (distance) C4'-P energy: -166.669
bonds (distance) P-C4' energy: -188.783
flat angles C4'-P-C4' energy: -187.433
flat angles P-C4'-P energy: -130.877
tors. eta vs tors. theta energy: -250.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -3072.937013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3072.937013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3072.937013 (E_RNA)
where:
Base-Base interactions energy: -2095.045
where: short stacking energy: -881.964
Base-Backbone interact. energy: -3.036
local terms energy: -974.856044
where:
bonds (distance) C4'-P energy: -173.934
bonds (distance) P-C4' energy: -188.377
flat angles C4'-P-C4' energy: -204.368
flat angles P-C4'-P energy: -127.536
tors. eta vs tors. theta energy: -280.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2860.814330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.814330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.814330 (E_RNA)
where:
Base-Base interactions energy: -1976.134
where: short stacking energy: -799.952
Base-Backbone interact. energy: -2.938
local terms energy: -881.742771
where:
bonds (distance) C4'-P energy: -175.484
bonds (distance) P-C4' energy: -157.626
flat angles C4'-P-C4' energy: -184.830
flat angles P-C4'-P energy: -124.428
tors. eta vs tors. theta energy: -239.375
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2675.623007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.623007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.623007 (E_RNA)
where:
Base-Base interactions energy: -1819.056
where: short stacking energy: -804.861
Base-Backbone interact. energy: -1.219
local terms energy: -855.348467
where:
bonds (distance) C4'-P energy: -169.420
bonds (distance) P-C4' energy: -168.838
flat angles C4'-P-C4' energy: -187.470
flat angles P-C4'-P energy: -109.691
tors. eta vs tors. theta energy: -219.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2522.078970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.078970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.078970 (E_RNA)
where:
Base-Base interactions energy: -1688.785
where: short stacking energy: -756.876
Base-Backbone interact. energy: 0.328
local terms energy: -833.621815
where:
bonds (distance) C4'-P energy: -181.535
bonds (distance) P-C4' energy: -157.159
flat angles C4'-P-C4' energy: -174.742
flat angles P-C4'-P energy: -113.179
tors. eta vs tors. theta energy: -207.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2197.600154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.600154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.600154 (E_RNA)
where:
Base-Base interactions energy: -1457.233
where: short stacking energy: -628.678
Base-Backbone interact. energy: -4.276
local terms energy: -736.090784
where:
bonds (distance) C4'-P energy: -161.895
bonds (distance) P-C4' energy: -149.449
flat angles C4'-P-C4' energy: -161.907
flat angles P-C4'-P energy: -93.920
tors. eta vs tors. theta energy: -168.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1900.429544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.429544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.429544 (E_RNA)
where:
Base-Base interactions energy: -1203.538
where: short stacking energy: -539.270
Base-Backbone interact. energy: 5.097
local terms energy: -701.988708
where:
bonds (distance) C4'-P energy: -155.337
bonds (distance) P-C4' energy: -148.675
flat angles C4'-P-C4' energy: -157.741
flat angles P-C4'-P energy: -106.393
tors. eta vs tors. theta energy: -133.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1329.157871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.157871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.157871 (E_RNA)
where:
Base-Base interactions energy: -763.227
where: short stacking energy: -356.019
Base-Backbone interact. energy: -0.813
local terms energy: -565.118087
where:
bonds (distance) C4'-P energy: -132.989
bonds (distance) P-C4' energy: -142.567
flat angles C4'-P-C4' energy: -140.185
flat angles P-C4'-P energy: -95.711
tors. eta vs tors. theta energy: -53.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1054.643446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.643446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.643446 (E_RNA)
where:
Base-Base interactions energy: -558.380
where: short stacking energy: -304.150
Base-Backbone interact. energy: -2.336
local terms energy: -493.927789
where:
bonds (distance) C4'-P energy: -147.884
bonds (distance) P-C4' energy: -132.228
flat angles C4'-P-C4' energy: -144.934
flat angles P-C4'-P energy: -75.016
tors. eta vs tors. theta energy: 6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -729.726642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.726642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.726642 (E_RNA)
where:
Base-Base interactions energy: -322.951
where: short stacking energy: -188.575
Base-Backbone interact. energy: 10.940
local terms energy: -417.715887
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -120.609
flat angles C4'-P-C4' energy: -128.889
flat angles P-C4'-P energy: -77.155
tors. eta vs tors. theta energy: 42.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -3146.494515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3146.494515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3146.494515 (E_RNA)
where:
Base-Base interactions energy: -2214.816
where: short stacking energy: -864.766
Base-Backbone interact. energy: -2.369
local terms energy: -929.309645
where:
bonds (distance) C4'-P energy: -172.990
bonds (distance) P-C4' energy: -184.311
flat angles C4'-P-C4' energy: -192.006
flat angles P-C4'-P energy: -131.428
tors. eta vs tors. theta energy: -248.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -3059.787917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3059.787917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3059.787917 (E_RNA)
where:
Base-Base interactions energy: -2083.469
where: short stacking energy: -884.823
Base-Backbone interact. energy: -1.446
local terms energy: -974.872515
where:
bonds (distance) C4'-P energy: -192.394
bonds (distance) P-C4' energy: -180.960
flat angles C4'-P-C4' energy: -197.008
flat angles P-C4'-P energy: -131.591
tors. eta vs tors. theta energy: -272.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2835.967651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.967651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.967651 (E_RNA)
where:
Base-Base interactions energy: -1961.576
where: short stacking energy: -815.353
Base-Backbone interact. energy: -2.689
local terms energy: -871.703110
where:
bonds (distance) C4'-P energy: -170.701
bonds (distance) P-C4' energy: -174.572
flat angles C4'-P-C4' energy: -190.319
flat angles P-C4'-P energy: -107.858
tors. eta vs tors. theta energy: -228.254
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: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2687.321781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.321781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.321781 (E_RNA)
where:
Base-Base interactions energy: -1828.658
where: short stacking energy: -774.988
Base-Backbone interact. energy: -1.208
local terms energy: -857.456320
where:
bonds (distance) C4'-P energy: -169.873
bonds (distance) P-C4' energy: -167.818
flat angles C4'-P-C4' energy: -190.735
flat angles P-C4'-P energy: -118.432
tors. eta vs tors. theta energy: -210.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2546.793317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.793317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.793317 (E_RNA)
where:
Base-Base interactions energy: -1730.885
where: short stacking energy: -734.430
Base-Backbone interact. energy: -3.848
local terms energy: -812.060496
where:
bonds (distance) C4'-P energy: -148.564
bonds (distance) P-C4' energy: -179.359
flat angles C4'-P-C4' energy: -161.543
flat angles P-C4'-P energy: -113.316
tors. eta vs tors. theta energy: -209.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2198.349997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.349997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.349997 (E_RNA)
where:
Base-Base interactions energy: -1460.504
where: short stacking energy: -625.912
Base-Backbone interact. energy: -1.614
local terms energy: -736.231284
where:
bonds (distance) C4'-P energy: -153.563
bonds (distance) P-C4' energy: -144.311
flat angles C4'-P-C4' energy: -176.745
flat angles P-C4'-P energy: -104.694
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: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1939.640846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.640846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.640846 (E_RNA)
where:
Base-Base interactions energy: -1258.881
where: short stacking energy: -555.650
Base-Backbone interact. energy: -2.244
local terms energy: -678.515247
where:
bonds (distance) C4'-P energy: -140.390
bonds (distance) P-C4' energy: -154.227
flat angles C4'-P-C4' energy: -162.080
flat angles P-C4'-P energy: -92.438
tors. eta vs tors. theta energy: -129.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1360.902201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.902201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.902201 (E_RNA)
where:
Base-Base interactions energy: -783.188
where: short stacking energy: -380.211
Base-Backbone interact. energy: 10.633
local terms energy: -588.347096
where:
bonds (distance) C4'-P energy: -152.134
bonds (distance) P-C4' energy: -158.767
flat angles C4'-P-C4' energy: -145.536
flat angles P-C4'-P energy: -91.368
tors. eta vs tors. theta energy: -40.542
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: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1106.446059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.446059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.446059 (E_RNA)
where:
Base-Base interactions energy: -587.123
where: short stacking energy: -296.645
Base-Backbone interact. energy: 4.350
local terms energy: -523.673807
where:
bonds (distance) C4'-P energy: -141.206
bonds (distance) P-C4' energy: -160.141
flat angles C4'-P-C4' energy: -135.267
flat angles P-C4'-P energy: -76.790
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -760.268043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.268043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.268043 (E_RNA)
where:
Base-Base interactions energy: -304.988
where: short stacking energy: -190.552
Base-Backbone interact. energy: 2.688
local terms energy: -457.968577
where:
bonds (distance) C4'-P energy: -138.837
bonds (distance) P-C4' energy: -158.143
flat angles C4'-P-C4' energy: -103.166
flat angles P-C4'-P energy: -87.702
tors. eta vs tors. theta energy: 29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -3164.033875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3164.033875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3164.033875 (E_RNA)
where:
Base-Base interactions energy: -2220.359
where: short stacking energy: -901.206
Base-Backbone interact. energy: -3.671
local terms energy: -940.003548
where:
bonds (distance) C4'-P energy: -177.022
bonds (distance) P-C4' energy: -174.884
flat angles C4'-P-C4' energy: -201.391
flat angles P-C4'-P energy: -138.841
tors. eta vs tors. theta energy: -247.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -3021.369921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3021.369921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3021.369921 (E_RNA)
where:
Base-Base interactions energy: -2093.155
where: short stacking energy: -886.437
Base-Backbone interact. energy: -2.178
local terms energy: -926.036382
where:
bonds (distance) C4'-P energy: -176.794
bonds (distance) P-C4' energy: -179.942
flat angles C4'-P-C4' energy: -176.172
flat angles P-C4'-P energy: -113.286
tors. eta vs tors. theta energy: -279.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2855.200239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.200239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.200239 (E_RNA)
where:
Base-Base interactions energy: -1953.599
where: short stacking energy: -817.181
Base-Backbone interact. energy: -5.457
local terms energy: -896.144024
where:
bonds (distance) C4'-P energy: -165.255
bonds (distance) P-C4' energy: -156.056
flat angles C4'-P-C4' energy: -200.262
flat angles P-C4'-P energy: -139.810
tors. eta vs tors. theta energy: -234.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2733.628236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.628236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.628236 (E_RNA)
where:
Base-Base interactions energy: -1869.805
where: short stacking energy: -765.058
Base-Backbone interact. energy: -6.521
local terms energy: -857.302349
where:
bonds (distance) C4'-P energy: -164.245
bonds (distance) P-C4' energy: -179.752
flat angles C4'-P-C4' energy: -184.179
flat angles P-C4'-P energy: -121.661
tors. eta vs tors. theta energy: -207.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2567.626522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.626522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.626522 (E_RNA)
where:
Base-Base interactions energy: -1730.184
where: short stacking energy: -748.090
Base-Backbone interact. energy: -5.266
local terms energy: -832.177085
where:
bonds (distance) C4'-P energy: -131.398
bonds (distance) P-C4' energy: -151.357
flat angles C4'-P-C4' energy: -196.988
flat angles P-C4'-P energy: -129.838
tors. eta vs tors. theta energy: -222.596
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: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2193.323323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.323323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.323323 (E_RNA)
where:
Base-Base interactions energy: -1446.487
where: short stacking energy: -618.014
Base-Backbone interact. energy: 2.980
local terms energy: -749.816152
where:
bonds (distance) C4'-P energy: -158.232
bonds (distance) P-C4' energy: -148.742
flat angles C4'-P-C4' energy: -164.282
flat angles P-C4'-P energy: -122.115
tors. eta vs tors. theta energy: -156.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1901.853676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.853676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.853676 (E_RNA)
where:
Base-Base interactions energy: -1252.344
where: short stacking energy: -539.928
Base-Backbone interact. energy: -0.859
local terms energy: -648.650977
where:
bonds (distance) C4'-P energy: -151.866
bonds (distance) P-C4' energy: -152.751
flat angles C4'-P-C4' energy: -152.629
flat angles P-C4'-P energy: -91.117
tors. eta vs tors. theta energy: -100.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1442.694381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.694381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.694381 (E_RNA)
where:
Base-Base interactions energy: -812.697
where: short stacking energy: -400.031
Base-Backbone interact. energy: 0.054
local terms energy: -630.051220
where:
bonds (distance) C4'-P energy: -163.520
bonds (distance) P-C4' energy: -171.964
flat angles C4'-P-C4' energy: -140.809
flat angles P-C4'-P energy: -90.912
tors. eta vs tors. theta energy: -62.847
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: 469
Temperature: 1.300000
Total energy: -1159.300959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.300959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.300959 (E_RNA)
where:
Base-Base interactions energy: -624.035
where: short stacking energy: -288.768
Base-Backbone interact. energy: -3.095
local terms energy: -532.171466
where:
bonds (distance) C4'-P energy: -152.280
bonds (distance) P-C4' energy: -165.384
flat angles C4'-P-C4' energy: -120.273
flat angles P-C4'-P energy: -74.039
tors. eta vs tors. theta energy: -20.195
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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -777.319313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.319313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.319313 (E_RNA)
where:
Base-Base interactions energy: -328.958
where: short stacking energy: -216.982
Base-Backbone interact. energy: -0.496
local terms energy: -447.865188
where:
bonds (distance) C4'-P energy: -140.624
bonds (distance) P-C4' energy: -134.691
flat angles C4'-P-C4' energy: -118.195
flat angles P-C4'-P energy: -82.206
tors. eta vs tors. theta energy: 27.850
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: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -3141.889103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3141.889103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3141.889103 (E_RNA)
where:
Base-Base interactions energy: -2197.404
where: short stacking energy: -889.349
Base-Backbone interact. energy: -3.821
local terms energy: -940.664366
where:
bonds (distance) C4'-P energy: -169.460
bonds (distance) P-C4' energy: -174.228
flat angles C4'-P-C4' energy: -202.562
flat angles P-C4'-P energy: -136.430
tors. eta vs tors. theta energy: -257.985
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: 470
Temperature: 0.950000
Total energy: -3047.883560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3047.883560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3047.883560 (E_RNA)
where:
Base-Base interactions energy: -2097.487
where: short stacking energy: -906.908
Base-Backbone interact. energy: -2.238
local terms energy: -948.158884
where:
bonds (distance) C4'-P energy: -166.084
bonds (distance) P-C4' energy: -165.133
flat angles C4'-P-C4' energy: -214.118
flat angles P-C4'-P energy: -119.869
tors. eta vs tors. theta energy: -282.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2920.605829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.605829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.605829 (E_RNA)
where:
Base-Base interactions energy: -2028.937
where: short stacking energy: -852.781
Base-Backbone interact. energy: -0.443
local terms energy: -891.225161
where:
bonds (distance) C4'-P energy: -158.620
bonds (distance) P-C4' energy: -173.223
flat angles C4'-P-C4' energy: -190.543
flat angles P-C4'-P energy: -116.863
tors. eta vs tors. theta energy: -251.975
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: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2713.317095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.317095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.317095 (E_RNA)
where:
Base-Base interactions energy: -1846.896
where: short stacking energy: -747.858
Base-Backbone interact. energy: -2.818
local terms energy: -863.602980
where:
bonds (distance) C4'-P energy: -147.735
bonds (distance) P-C4' energy: -181.356
flat angles C4'-P-C4' energy: -200.323
flat angles P-C4'-P energy: -117.819
tors. eta vs tors. theta energy: -216.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2572.557625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.557625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.557625 (E_RNA)
where:
Base-Base interactions energy: -1715.500
where: short stacking energy: -741.755
Base-Backbone interact. energy: -3.148
local terms energy: -853.908960
where:
bonds (distance) C4'-P energy: -150.703
bonds (distance) P-C4' energy: -172.945
flat angles C4'-P-C4' energy: -188.237
flat angles P-C4'-P energy: -110.071
tors. eta vs tors. theta energy: -231.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2225.162013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.162013 (E_RNA)
where:
Base-Base interactions energy: -1480.554
where: short stacking energy: -634.109
Base-Backbone interact. energy: 0.962
local terms energy: -745.569282
where:
bonds (distance) C4'-P energy: -156.686
bonds (distance) P-C4' energy: -158.826
flat angles C4'-P-C4' energy: -151.060
flat angles P-C4'-P energy: -110.620
tors. eta vs tors. theta energy: -168.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1955.204009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.204009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.204009 (E_RNA)
where:
Base-Base interactions energy: -1270.623
where: short stacking energy: -576.332
Base-Backbone interact. energy: 1.814
local terms energy: -686.395151
where:
bonds (distance) C4'-P energy: -135.172
bonds (distance) P-C4' energy: -161.215
flat angles C4'-P-C4' energy: -149.777
flat angles P-C4'-P energy: -105.295
tors. eta vs tors. theta energy: -134.937
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: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1316.972709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.972709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.972709 (E_RNA)
where:
Base-Base interactions energy: -723.300
where: short stacking energy: -358.192
Base-Backbone interact. energy: 2.771
local terms energy: -596.443705
where:
bonds (distance) C4'-P energy: -149.066
bonds (distance) P-C4' energy: -152.715
flat angles C4'-P-C4' energy: -165.826
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1166.049672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.049672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.049672 (E_RNA)
where:
Base-Base interactions energy: -626.624
where: short stacking energy: -324.356
Base-Backbone interact. energy: -3.473
local terms energy: -535.952559
where:
bonds (distance) C4'-P energy: -141.391
bonds (distance) P-C4' energy: -140.979
flat angles C4'-P-C4' energy: -136.763
flat angles P-C4'-P energy: -94.148
tors. eta vs tors. theta energy: -22.671
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: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -730.064665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.064665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.064665 (E_RNA)
where:
Base-Base interactions energy: -282.265
where: short stacking energy: -207.269
Base-Backbone interact. energy: -2.061
local terms energy: -445.738415
where:
bonds (distance) C4'-P energy: -144.433
bonds (distance) P-C4' energy: -127.121
flat angles C4'-P-C4' energy: -115.375
flat angles P-C4'-P energy: -83.311
tors. eta vs tors. theta energy: 24.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -3155.780841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3155.780841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3155.780841 (E_RNA)
where:
Base-Base interactions energy: -2209.156
where: short stacking energy: -871.096
Base-Backbone interact. energy: -2.317
local terms energy: -944.308159
where:
bonds (distance) C4'-P energy: -162.535
bonds (distance) P-C4' energy: -185.237
flat angles C4'-P-C4' energy: -204.333
flat angles P-C4'-P energy: -124.390
tors. eta vs tors. theta energy: -267.814
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: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -3012.523803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.523803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.523803 (E_RNA)
where:
Base-Base interactions energy: -2062.156
where: short stacking energy: -872.959
Base-Backbone interact. energy: -4.818
local terms energy: -945.550597
where:
bonds (distance) C4'-P energy: -169.714
bonds (distance) P-C4' energy: -173.760
flat angles C4'-P-C4' energy: -204.475
flat angles P-C4'-P energy: -125.562
tors. eta vs tors. theta energy: -272.040
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: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2909.457844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.457844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.457844 (E_RNA)
where:
Base-Base interactions energy: -1998.449
where: short stacking energy: -848.263
Base-Backbone interact. energy: -4.666
local terms energy: -906.342484
where:
bonds (distance) C4'-P energy: -172.324
bonds (distance) P-C4' energy: -168.202
flat angles C4'-P-C4' energy: -197.290
flat angles P-C4'-P energy: -130.660
tors. eta vs tors. theta energy: -237.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2727.349770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.349770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.349770 (E_RNA)
where:
Base-Base interactions energy: -1876.453
where: short stacking energy: -778.679
Base-Backbone interact. energy: -0.275
local terms energy: -850.621303
where:
bonds (distance) C4'-P energy: -156.263
bonds (distance) P-C4' energy: -161.895
flat angles C4'-P-C4' energy: -197.261
flat angles P-C4'-P energy: -117.293
tors. eta vs tors. theta energy: -217.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2562.482067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.482067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.482067 (E_RNA)
where:
Base-Base interactions energy: -1702.253
where: short stacking energy: -747.667
Base-Backbone interact. energy: -2.183
local terms energy: -858.045839
where:
bonds (distance) C4'-P energy: -138.121
bonds (distance) P-C4' energy: -175.174
flat angles C4'-P-C4' energy: -203.405
flat angles P-C4'-P energy: -116.386
tors. eta vs tors. theta energy: -224.960
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2208.974498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.974498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.974498 (E_RNA)
where:
Base-Base interactions energy: -1482.275
where: short stacking energy: -656.259
Base-Backbone interact. energy: 0.228
local terms energy: -726.927049
where:
bonds (distance) C4'-P energy: -141.575
bonds (distance) P-C4' energy: -152.219
flat angles C4'-P-C4' energy: -159.415
flat angles P-C4'-P energy: -94.330
tors. eta vs tors. theta energy: -179.389
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: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1898.458775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.458775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.458775 (E_RNA)
where:
Base-Base interactions energy: -1220.002
where: short stacking energy: -563.938
Base-Backbone interact. energy: -0.410
local terms energy: -678.047407
where:
bonds (distance) C4'-P energy: -132.280
bonds (distance) P-C4' energy: -150.665
flat angles C4'-P-C4' energy: -169.852
flat angles P-C4'-P energy: -100.262
tors. eta vs tors. theta energy: -124.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1403.064294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.064294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.064294 (E_RNA)
where:
Base-Base interactions energy: -789.395
where: short stacking energy: -400.430
Base-Backbone interact. energy: -1.171
local terms energy: -612.498107
where:
bonds (distance) C4'-P energy: -161.479
bonds (distance) P-C4' energy: -146.968
flat angles C4'-P-C4' energy: -162.787
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -53.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1191.206401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.206401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.206401 (E_RNA)
where:
Base-Base interactions energy: -652.926
where: short stacking energy: -341.333
Base-Backbone interact. energy: -2.228
local terms energy: -536.052788
where:
bonds (distance) C4'-P energy: -120.822
bonds (distance) P-C4' energy: -141.548
flat angles C4'-P-C4' energy: -138.635
flat angles P-C4'-P energy: -96.858
tors. eta vs tors. theta energy: -38.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -740.648262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.648262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.648262 (E_RNA)
where:
Base-Base interactions energy: -314.484
where: short stacking energy: -214.233
Base-Backbone interact. energy: 1.558
local terms energy: -427.722677
where:
bonds (distance) C4'-P energy: -130.095
bonds (distance) P-C4' energy: -163.648
flat angles C4'-P-C4' energy: -128.019
flat angles P-C4'-P energy: -58.280
tors. eta vs tors. theta energy: 52.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -3141.926460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3141.926460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3141.926460 (E_RNA)
where:
Base-Base interactions energy: -2188.112
where: short stacking energy: -882.097
Base-Backbone interact. energy: -2.047
local terms energy: -951.766944
where:
bonds (distance) C4'-P energy: -182.875
bonds (distance) P-C4' energy: -189.893
flat angles C4'-P-C4' energy: -196.656
flat angles P-C4'-P energy: -129.170
tors. eta vs tors. theta energy: -253.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -3007.853074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.853074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.853074 (E_RNA)
where:
Base-Base interactions energy: -2051.657
where: short stacking energy: -876.351
Base-Backbone interact. energy: -4.028
local terms energy: -952.167985
where:
bonds (distance) C4'-P energy: -175.701
bonds (distance) P-C4' energy: -180.989
flat angles C4'-P-C4' energy: -201.352
flat angles P-C4'-P energy: -120.388
tors. eta vs tors. theta energy: -273.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2875.430769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.430769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.430769 (E_RNA)
where:
Base-Base interactions energy: -1975.399
where: short stacking energy: -839.488
Base-Backbone interact. energy: 0.138
local terms energy: -900.170148
where:
bonds (distance) C4'-P energy: -170.256
bonds (distance) P-C4' energy: -161.100
flat angles C4'-P-C4' energy: -191.658
flat angles P-C4'-P energy: -140.398
tors. eta vs tors. theta energy: -236.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2687.625110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.625110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.625110 (E_RNA)
where:
Base-Base interactions energy: -1829.512
where: short stacking energy: -733.016
Base-Backbone interact. energy: 2.707
local terms energy: -860.820744
where:
bonds (distance) C4'-P energy: -157.270
bonds (distance) P-C4' energy: -179.808
flat angles C4'-P-C4' energy: -191.918
flat angles P-C4'-P energy: -119.996
tors. eta vs tors. theta energy: -211.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2562.971373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.971373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.971373 (E_RNA)
where:
Base-Base interactions energy: -1730.968
where: short stacking energy: -767.570
Base-Backbone interact. energy: 0.085
local terms energy: -832.087717
where:
bonds (distance) C4'-P energy: -147.801
bonds (distance) P-C4' energy: -181.846
flat angles C4'-P-C4' energy: -179.441
flat angles P-C4'-P energy: -99.795
tors. eta vs tors. theta energy: -223.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2243.963325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.963325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.963325 (E_RNA)
where:
Base-Base interactions energy: -1491.655
where: short stacking energy: -648.662
Base-Backbone interact. energy: -2.780
local terms energy: -749.528872
where:
bonds (distance) C4'-P energy: -137.905
bonds (distance) P-C4' energy: -158.426
flat angles C4'-P-C4' energy: -185.484
flat angles P-C4'-P energy: -113.540
tors. eta vs tors. theta energy: -154.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1944.113451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.113451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.113451 (E_RNA)
where:
Base-Base interactions energy: -1251.438
where: short stacking energy: -544.273
Base-Backbone interact. energy: 7.133
local terms energy: -699.808830
where:
bonds (distance) C4'-P energy: -157.880
bonds (distance) P-C4' energy: -141.673
flat angles C4'-P-C4' energy: -177.703
flat angles P-C4'-P energy: -105.947
tors. eta vs tors. theta energy: -116.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1408.680438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.680438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.680438 (E_RNA)
where:
Base-Base interactions energy: -833.838
where: short stacking energy: -423.254
Base-Backbone interact. energy: -4.458
local terms energy: -570.383990
where:
bonds (distance) C4'-P energy: -147.628
bonds (distance) P-C4' energy: -159.970
flat angles C4'-P-C4' energy: -127.297
flat angles P-C4'-P energy: -80.106
tors. eta vs tors. theta energy: -55.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1140.158617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.158617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.158617 (E_RNA)
where:
Base-Base interactions energy: -625.090
where: short stacking energy: -328.974
Base-Backbone interact. energy: 1.714
local terms energy: -516.781795
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -146.428
flat angles C4'-P-C4' energy: -112.416
flat angles P-C4'-P energy: -97.588
tors. eta vs tors. theta energy: -26.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -755.613592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.613592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.613592 (E_RNA)
where:
Base-Base interactions energy: -306.344
where: short stacking energy: -192.360
Base-Backbone interact. energy: -3.131
local terms energy: -446.139519
where:
bonds (distance) C4'-P energy: -132.849
bonds (distance) P-C4' energy: -153.691
flat angles C4'-P-C4' energy: -137.198
flat angles P-C4'-P energy: -65.650
tors. eta vs tors. theta energy: 43.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -3145.577883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3145.577883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3145.577883 (E_RNA)
where:
Base-Base interactions energy: -2201.503
where: short stacking energy: -902.161
Base-Backbone interact. energy: -2.924
local terms energy: -941.151261
where:
bonds (distance) C4'-P energy: -165.389
bonds (distance) P-C4' energy: -180.433
flat angles C4'-P-C4' energy: -202.694
flat angles P-C4'-P energy: -133.011
tors. eta vs tors. theta energy: -259.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -3038.296835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.296835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.296835 (E_RNA)
where:
Base-Base interactions energy: -2097.132
where: short stacking energy: -863.361
Base-Backbone interact. energy: -2.158
local terms energy: -939.006554
where:
bonds (distance) C4'-P energy: -160.973
bonds (distance) P-C4' energy: -181.715
flat angles C4'-P-C4' energy: -208.395
flat angles P-C4'-P energy: -120.423
tors. eta vs tors. theta energy: -267.500
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: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2865.192630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.192630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.192630 (E_RNA)
where:
Base-Base interactions energy: -1977.642
where: short stacking energy: -835.700
Base-Backbone interact. energy: 0.523
local terms energy: -888.074460
where:
bonds (distance) C4'-P energy: -154.975
bonds (distance) P-C4' energy: -166.657
flat angles C4'-P-C4' energy: -192.094
flat angles P-C4'-P energy: -122.135
tors. eta vs tors. theta energy: -252.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2653.472673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.472673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.472673 (E_RNA)
where:
Base-Base interactions energy: -1781.707
where: short stacking energy: -741.587
Base-Backbone interact. energy: -2.515
local terms energy: -869.250566
where:
bonds (distance) C4'-P energy: -172.989
bonds (distance) P-C4' energy: -171.335
flat angles C4'-P-C4' energy: -193.486
flat angles P-C4'-P energy: -124.805
tors. eta vs tors. theta energy: -206.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2594.007154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.007154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.007154 (E_RNA)
where:
Base-Base interactions energy: -1762.861
where: short stacking energy: -764.804
Base-Backbone interact. energy: -2.530
local terms energy: -828.616725
where:
bonds (distance) C4'-P energy: -140.590
bonds (distance) P-C4' energy: -162.785
flat angles C4'-P-C4' energy: -174.513
flat angles P-C4'-P energy: -110.269
tors. eta vs tors. theta energy: -240.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2219.509139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.509139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.509139 (E_RNA)
where:
Base-Base interactions energy: -1474.066
where: short stacking energy: -632.990
Base-Backbone interact. energy: 3.027
local terms energy: -748.470480
where:
bonds (distance) C4'-P energy: -159.300
bonds (distance) P-C4' energy: -165.480
flat angles C4'-P-C4' energy: -166.678
flat angles P-C4'-P energy: -103.532
tors. eta vs tors. theta energy: -153.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2004.558477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.558477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.558477 (E_RNA)
where:
Base-Base interactions energy: -1268.342
where: short stacking energy: -569.307
Base-Backbone interact. energy: 2.108
local terms energy: -738.324780
where:
bonds (distance) C4'-P energy: -170.313
bonds (distance) P-C4' energy: -164.435
flat angles C4'-P-C4' energy: -166.137
flat angles P-C4'-P energy: -99.427
tors. eta vs tors. theta energy: -138.012
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: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1501.922219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.922219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.922219 (E_RNA)
where:
Base-Base interactions energy: -941.621
where: short stacking energy: -435.253
Base-Backbone interact. energy: -4.065
local terms energy: -556.236244
where:
bonds (distance) C4'-P energy: -141.842
bonds (distance) P-C4' energy: -157.463
flat angles C4'-P-C4' energy: -129.098
flat angles P-C4'-P energy: -73.964
tors. eta vs tors. theta energy: -53.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1080.551333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.551333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.551333 (E_RNA)
where:
Base-Base interactions energy: -588.122
where: short stacking energy: -300.882
Base-Backbone interact. energy: 1.917
local terms energy: -494.346818
where:
bonds (distance) C4'-P energy: -133.272
bonds (distance) P-C4' energy: -154.903
flat angles C4'-P-C4' energy: -129.578
flat angles P-C4'-P energy: -83.589
tors. eta vs tors. theta energy: 6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -757.745487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.745487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.745487 (E_RNA)
where:
Base-Base interactions energy: -284.540
where: short stacking energy: -227.145
Base-Backbone interact. energy: 3.754
local terms energy: -476.959536
where:
bonds (distance) C4'-P energy: -133.877
bonds (distance) P-C4' energy: -174.975
flat angles C4'-P-C4' energy: -133.965
flat angles P-C4'-P energy: -56.324
tors. eta vs tors. theta energy: 22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -3197.080198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3197.080198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3197.080198 (E_RNA)
where:
Base-Base interactions energy: -2257.353
where: short stacking energy: -907.888
Base-Backbone interact. energy: -2.419
local terms energy: -937.307889
where:
bonds (distance) C4'-P energy: -196.759
bonds (distance) P-C4' energy: -168.776
flat angles C4'-P-C4' energy: -176.115
flat angles P-C4'-P energy: -133.233
tors. eta vs tors. theta energy: -262.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -3044.459941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.459941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.459941 (E_RNA)
where:
Base-Base interactions energy: -2082.922
where: short stacking energy: -865.572
Base-Backbone interact. energy: -2.710
local terms energy: -958.828108
where:
bonds (distance) C4'-P energy: -175.101
bonds (distance) P-C4' energy: -186.461
flat angles C4'-P-C4' energy: -207.008
flat angles P-C4'-P energy: -128.796
tors. eta vs tors. theta energy: -261.462
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: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2898.106094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.106094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.106094 (E_RNA)
where:
Base-Base interactions energy: -1977.214
where: short stacking energy: -838.511
Base-Backbone interact. energy: -2.797
local terms energy: -918.095781
where:
bonds (distance) C4'-P energy: -158.956
bonds (distance) P-C4' energy: -169.785
flat angles C4'-P-C4' energy: -213.383
flat angles P-C4'-P energy: -134.269
tors. eta vs tors. theta energy: -241.703
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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2643.502839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.502839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.502839 (E_RNA)
where:
Base-Base interactions energy: -1805.597
where: short stacking energy: -745.730
Base-Backbone interact. energy: -5.510
local terms energy: -832.395656
where:
bonds (distance) C4'-P energy: -165.634
bonds (distance) P-C4' energy: -154.597
flat angles C4'-P-C4' energy: -185.092
flat angles P-C4'-P energy: -120.043
tors. eta vs tors. theta energy: -207.030
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: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2570.693104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.693104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.693104 (E_RNA)
where:
Base-Base interactions energy: -1770.377
where: short stacking energy: -733.529
Base-Backbone interact. energy: -2.167
local terms energy: -798.148780
where:
bonds (distance) C4'-P energy: -151.456
bonds (distance) P-C4' energy: -147.728
flat angles C4'-P-C4' energy: -185.083
flat angles P-C4'-P energy: -109.349
tors. eta vs tors. theta energy: -204.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2284.452526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.452526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.452526 (E_RNA)
where:
Base-Base interactions energy: -1516.790
where: short stacking energy: -648.994
Base-Backbone interact. energy: -5.241
local terms energy: -762.421740
where:
bonds (distance) C4'-P energy: -153.705
bonds (distance) P-C4' energy: -169.750
flat angles C4'-P-C4' energy: -162.796
flat angles P-C4'-P energy: -103.909
tors. eta vs tors. theta energy: -172.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1932.393932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.393932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.393932 (E_RNA)
where:
Base-Base interactions energy: -1228.636
where: short stacking energy: -513.137
Base-Backbone interact. energy: -0.491
local terms energy: -703.267131
where:
bonds (distance) C4'-P energy: -163.861
bonds (distance) P-C4' energy: -160.376
flat angles C4'-P-C4' energy: -157.716
flat angles P-C4'-P energy: -105.668
tors. eta vs tors. theta energy: -115.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1471.056951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.056951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.056951 (E_RNA)
where:
Base-Base interactions energy: -898.938
where: short stacking energy: -410.154
Base-Backbone interact. energy: 2.008
local terms energy: -574.126540
where:
bonds (distance) C4'-P energy: -126.574
bonds (distance) P-C4' energy: -160.798
flat angles C4'-P-C4' energy: -143.755
flat angles P-C4'-P energy: -86.194
tors. eta vs tors. theta energy: -56.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1085.001273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.001273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.001273 (E_RNA)
where:
Base-Base interactions energy: -576.193
where: short stacking energy: -288.460
Base-Backbone interact. energy: -2.580
local terms energy: -506.228576
where:
bonds (distance) C4'-P energy: -135.651
bonds (distance) P-C4' energy: -159.348
flat angles C4'-P-C4' energy: -127.458
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -660.589704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.589704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.589704 (E_RNA)
where:
Base-Base interactions energy: -210.753
where: short stacking energy: -168.206
Base-Backbone interact. energy: -1.087
local terms energy: -448.748976
where:
bonds (distance) C4'-P energy: -129.572
bonds (distance) P-C4' energy: -151.244
flat angles C4'-P-C4' energy: -127.934
flat angles P-C4'-P energy: -79.476
tors. eta vs tors. theta energy: 39.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -3147.800083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3147.800083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3147.800083 (E_RNA)
where:
Base-Base interactions energy: -2193.773
where: short stacking energy: -897.400
Base-Backbone interact. energy: -4.005
local terms energy: -950.022869
where:
bonds (distance) C4'-P energy: -183.274
bonds (distance) P-C4' energy: -187.399
flat angles C4'-P-C4' energy: -186.636
flat angles P-C4'-P energy: -134.762
tors. eta vs tors. theta energy: -257.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -3006.432885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.432885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.432885 (E_RNA)
where:
Base-Base interactions energy: -2071.953
where: short stacking energy: -870.851
Base-Backbone interact. energy: -2.269
local terms energy: -932.210557
where:
bonds (distance) C4'-P energy: -180.924
bonds (distance) P-C4' energy: -176.586
flat angles C4'-P-C4' energy: -190.526
flat angles P-C4'-P energy: -128.748
tors. eta vs tors. theta energy: -255.427
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: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2843.122957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.122957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.122957 (E_RNA)
where:
Base-Base interactions energy: -1965.104
where: short stacking energy: -837.781
Base-Backbone interact. energy: -0.909
local terms energy: -877.109423
where:
bonds (distance) C4'-P energy: -162.034
bonds (distance) P-C4' energy: -170.849
flat angles C4'-P-C4' energy: -173.411
flat angles P-C4'-P energy: -132.888
tors. eta vs tors. theta energy: -237.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2721.802884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.802884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.802884 (E_RNA)
where:
Base-Base interactions energy: -1881.991
where: short stacking energy: -736.158
Base-Backbone interact. energy: 5.047
local terms energy: -844.858614
where:
bonds (distance) C4'-P energy: -151.697
bonds (distance) P-C4' energy: -171.188
flat angles C4'-P-C4' energy: -184.842
flat angles P-C4'-P energy: -119.383
tors. eta vs tors. theta energy: -217.749
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: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2576.850752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.850752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.850752 (E_RNA)
where:
Base-Base interactions energy: -1731.812
where: short stacking energy: -740.853
Base-Backbone interact. energy: -6.189
local terms energy: -838.849647
where:
bonds (distance) C4'-P energy: -154.668
bonds (distance) P-C4' energy: -164.170
flat angles C4'-P-C4' energy: -179.980
flat angles P-C4'-P energy: -110.640
tors. eta vs tors. theta energy: -229.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2220.104491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.104491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.104491 (E_RNA)
where:
Base-Base interactions energy: -1445.192
where: short stacking energy: -617.777
Base-Backbone interact. energy: 0.911
local terms energy: -775.823711
where:
bonds (distance) C4'-P energy: -191.114
bonds (distance) P-C4' energy: -172.500
flat angles C4'-P-C4' energy: -163.660
flat angles P-C4'-P energy: -96.464
tors. eta vs tors. theta energy: -152.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1914.573408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.573408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.573408 (E_RNA)
where:
Base-Base interactions energy: -1235.990
where: short stacking energy: -547.842
Base-Backbone interact. energy: 1.734
local terms energy: -680.317143
where:
bonds (distance) C4'-P energy: -142.807
bonds (distance) P-C4' energy: -163.914
flat angles C4'-P-C4' energy: -157.511
flat angles P-C4'-P energy: -87.477
tors. eta vs tors. theta energy: -128.608
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: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1446.763838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.763838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.763838 (E_RNA)
where:
Base-Base interactions energy: -883.931
where: short stacking energy: -404.794
Base-Backbone interact. energy: 6.584
local terms energy: -569.417439
where:
bonds (distance) C4'-P energy: -144.126
bonds (distance) P-C4' energy: -148.949
flat angles C4'-P-C4' energy: -150.542
flat angles P-C4'-P energy: -83.803
tors. eta vs tors. theta energy: -41.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1068.642870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.642870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.642870 (E_RNA)
where:
Base-Base interactions energy: -601.673
where: short stacking energy: -317.653
Base-Backbone interact. energy: -0.753
local terms energy: -466.216255
where:
bonds (distance) C4'-P energy: -131.674
bonds (distance) P-C4' energy: -145.249
flat angles C4'-P-C4' energy: -125.321
flat angles P-C4'-P energy: -73.430
tors. eta vs tors. theta energy: 9.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -680.414104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.414104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.414104 (E_RNA)
where:
Base-Base interactions energy: -231.155
where: short stacking energy: -177.350
Base-Backbone interact. energy: 1.813
local terms energy: -451.071553
where:
bonds (distance) C4'-P energy: -150.432
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -130.598
flat angles P-C4'-P energy: -70.064
tors. eta vs tors. theta energy: 41.687
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: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -3135.816399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3135.816399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3135.816399 (E_RNA)
where:
Base-Base interactions energy: -2173.963
where: short stacking energy: -866.650
Base-Backbone interact. energy: -7.218
local terms energy: -954.634969
where:
bonds (distance) C4'-P energy: -166.092
bonds (distance) P-C4' energy: -185.547
flat angles C4'-P-C4' energy: -207.848
flat angles P-C4'-P energy: -134.669
tors. eta vs tors. theta energy: -260.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -3002.555538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.555538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.555538 (E_RNA)
where:
Base-Base interactions energy: -2090.813
where: short stacking energy: -863.774
Base-Backbone interact. energy: -3.229
local terms energy: -908.512954
where:
bonds (distance) C4'-P energy: -172.763
bonds (distance) P-C4' energy: -176.610
flat angles C4'-P-C4' energy: -192.793
flat angles P-C4'-P energy: -111.748
tors. eta vs tors. theta energy: -254.599
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: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2867.397849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.397849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.397849 (E_RNA)
where:
Base-Base interactions energy: -1944.125
where: short stacking energy: -820.286
Base-Backbone interact. energy: -1.966
local terms energy: -921.307348
where:
bonds (distance) C4'-P energy: -173.102
bonds (distance) P-C4' energy: -181.175
flat angles C4'-P-C4' energy: -203.287
flat angles P-C4'-P energy: -116.904
tors. eta vs tors. theta energy: -246.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2679.125380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.125380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.125380 (E_RNA)
where:
Base-Base interactions energy: -1851.163
where: short stacking energy: -752.141
Base-Backbone interact. energy: 0.021
local terms energy: -827.983327
where:
bonds (distance) C4'-P energy: -162.512
bonds (distance) P-C4' energy: -158.988
flat angles C4'-P-C4' energy: -182.523
flat angles P-C4'-P energy: -111.518
tors. eta vs tors. theta energy: -212.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2470.305165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.305165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.305165 (E_RNA)
where:
Base-Base interactions energy: -1658.169
where: short stacking energy: -730.063
Base-Backbone interact. energy: -4.575
local terms energy: -807.561738
where:
bonds (distance) C4'-P energy: -154.856
bonds (distance) P-C4' energy: -159.703
flat angles C4'-P-C4' energy: -183.039
flat angles P-C4'-P energy: -105.373
tors. eta vs tors. theta energy: -204.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2252.224424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.224424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.224424 (E_RNA)
where:
Base-Base interactions energy: -1512.654
where: short stacking energy: -619.740
Base-Backbone interact. energy: -0.751
local terms energy: -738.819518
where:
bonds (distance) C4'-P energy: -140.634
bonds (distance) P-C4' energy: -154.090
flat angles C4'-P-C4' energy: -167.961
flat angles P-C4'-P energy: -109.265
tors. eta vs tors. theta energy: -166.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1834.605211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.605211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.605211 (E_RNA)
where:
Base-Base interactions energy: -1155.952
where: short stacking energy: -549.505
Base-Backbone interact. energy: -2.677
local terms energy: -675.975881
where:
bonds (distance) C4'-P energy: -141.865
bonds (distance) P-C4' energy: -165.508
flat angles C4'-P-C4' energy: -127.789
flat angles P-C4'-P energy: -111.050
tors. eta vs tors. theta energy: -129.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1499.549043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.549043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.549043 (E_RNA)
where:
Base-Base interactions energy: -878.566
where: short stacking energy: -403.820
Base-Backbone interact. energy: 0.545
local terms energy: -621.528195
where:
bonds (distance) C4'-P energy: -149.084
bonds (distance) P-C4' energy: -173.506
flat angles C4'-P-C4' energy: -145.535
flat angles P-C4'-P energy: -98.927
tors. eta vs tors. theta energy: -54.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1111.806370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.806370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.806370 (E_RNA)
where:
Base-Base interactions energy: -609.576
where: short stacking energy: -327.328
Base-Backbone interact. energy: 9.061
local terms energy: -511.291212
where:
bonds (distance) C4'-P energy: -137.158
bonds (distance) P-C4' energy: -152.270
flat angles C4'-P-C4' energy: -127.746
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -16.256
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: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -680.227589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.227589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.227589 (E_RNA)
where:
Base-Base interactions energy: -258.380
where: short stacking energy: -217.097
Base-Backbone interact. energy: 4.848
local terms energy: -426.695647
where:
bonds (distance) C4'-P energy: -135.912
bonds (distance) P-C4' energy: -155.213
flat angles C4'-P-C4' energy: -115.389
flat angles P-C4'-P energy: -53.274
tors. eta vs tors. theta energy: 33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -3126.664687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3126.664687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3126.664687 (E_RNA)
where:
Base-Base interactions energy: -2188.465
where: short stacking energy: -869.737
Base-Backbone interact. energy: -1.604
local terms energy: -936.595357
where:
bonds (distance) C4'-P energy: -169.129
bonds (distance) P-C4' energy: -172.397
flat angles C4'-P-C4' energy: -202.982
flat angles P-C4'-P energy: -128.678
tors. eta vs tors. theta energy: -263.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -3036.860020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.860020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.860020 (E_RNA)
where:
Base-Base interactions energy: -2078.560
where: short stacking energy: -905.929
Base-Backbone interact. energy: -3.685
local terms energy: -954.614876
where:
bonds (distance) C4'-P energy: -171.863
bonds (distance) P-C4' energy: -163.010
flat angles C4'-P-C4' energy: -205.494
flat angles P-C4'-P energy: -134.769
tors. eta vs tors. theta energy: -279.478
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: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2928.701866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.701866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.701866 (E_RNA)
where:
Base-Base interactions energy: -2013.199
where: short stacking energy: -844.190
Base-Backbone interact. energy: -1.814
local terms energy: -913.688649
where:
bonds (distance) C4'-P energy: -156.199
bonds (distance) P-C4' energy: -166.782
flat angles C4'-P-C4' energy: -197.422
flat angles P-C4'-P energy: -132.310
tors. eta vs tors. theta energy: -260.975
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: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2630.543837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.543837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.543837 (E_RNA)
where:
Base-Base interactions energy: -1801.386
where: short stacking energy: -724.381
Base-Backbone interact. energy: 2.810
local terms energy: -831.968472
where:
bonds (distance) C4'-P energy: -137.907
bonds (distance) P-C4' energy: -170.729
flat angles C4'-P-C4' energy: -187.407
flat angles P-C4'-P energy: -129.243
tors. eta vs tors. theta energy: -206.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2481.912578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.912578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.912578 (E_RNA)
where:
Base-Base interactions energy: -1657.959
where: short stacking energy: -703.120
Base-Backbone interact. energy: -4.240
local terms energy: -819.713829
where:
bonds (distance) C4'-P energy: -153.984
bonds (distance) P-C4' energy: -174.466
flat angles C4'-P-C4' energy: -180.399
flat angles P-C4'-P energy: -118.815
tors. eta vs tors. theta energy: -192.049
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: 477
Temperature: 1.150000
Total energy: -2239.290422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.290422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.290422 (E_RNA)
where:
Base-Base interactions energy: -1491.048
where: short stacking energy: -628.004
Base-Backbone interact. energy: 0.009
local terms energy: -748.251156
where:
bonds (distance) C4'-P energy: -145.812
bonds (distance) P-C4' energy: -173.194
flat angles C4'-P-C4' energy: -176.190
flat angles P-C4'-P energy: -99.854
tors. eta vs tors. theta energy: -153.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1826.787684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.787684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.787684 (E_RNA)
where:
Base-Base interactions energy: -1147.372
where: short stacking energy: -533.055
Base-Backbone interact. energy: 0.397
local terms energy: -679.812615
where:
bonds (distance) C4'-P energy: -135.750
bonds (distance) P-C4' energy: -159.414
flat angles C4'-P-C4' energy: -169.563
flat angles P-C4'-P energy: -98.420
tors. eta vs tors. theta energy: -116.666
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: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1554.011550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.011550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.011550 (E_RNA)
where:
Base-Base interactions energy: -915.034
where: short stacking energy: -414.676
Base-Backbone interact. energy: 7.033
local terms energy: -646.010863
where:
bonds (distance) C4'-P energy: -152.606
bonds (distance) P-C4' energy: -161.173
flat angles C4'-P-C4' energy: -150.465
flat angles P-C4'-P energy: -104.544
tors. eta vs tors. theta energy: -77.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1133.518663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.518663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.518663 (E_RNA)
where:
Base-Base interactions energy: -622.344
where: short stacking energy: -294.290
Base-Backbone interact. energy: 0.621
local terms energy: -511.795084
where:
bonds (distance) C4'-P energy: -146.351
bonds (distance) P-C4' energy: -152.613
flat angles C4'-P-C4' energy: -127.734
flat angles P-C4'-P energy: -76.095
tors. eta vs tors. theta energy: -9.003
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: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -687.360441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.360441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.360441 (E_RNA)
where:
Base-Base interactions energy: -255.170
where: short stacking energy: -210.006
Base-Backbone interact. energy: 3.378
local terms energy: -435.567750
where:
bonds (distance) C4'-P energy: -132.277
bonds (distance) P-C4' energy: -157.048
flat angles C4'-P-C4' energy: -112.895
flat angles P-C4'-P energy: -52.447
tors. eta vs tors. theta energy: 19.099
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: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -3149.641095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3149.641095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3149.641095 (E_RNA)
where:
Base-Base interactions energy: -2209.411
where: short stacking energy: -921.515
Base-Backbone interact. energy: -5.164
local terms energy: -935.065892
where:
bonds (distance) C4'-P energy: -171.874
bonds (distance) P-C4' energy: -171.519
flat angles C4'-P-C4' energy: -194.447
flat angles P-C4'-P energy: -130.033
tors. eta vs tors. theta energy: -267.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -3065.321830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3065.321830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3065.321830 (E_RNA)
where:
Base-Base interactions energy: -2126.566
where: short stacking energy: -876.960
Base-Backbone interact. energy: -2.394
local terms energy: -936.361691
where:
bonds (distance) C4'-P energy: -151.624
bonds (distance) P-C4' energy: -174.486
flat angles C4'-P-C4' energy: -206.767
flat angles P-C4'-P energy: -125.722
tors. eta vs tors. theta energy: -277.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2907.489200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.489200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.489200 (E_RNA)
where:
Base-Base interactions energy: -1986.481
where: short stacking energy: -831.747
Base-Backbone interact. energy: -4.658
local terms energy: -916.350277
where:
bonds (distance) C4'-P energy: -155.072
bonds (distance) P-C4' energy: -178.019
flat angles C4'-P-C4' energy: -201.106
flat angles P-C4'-P energy: -128.192
tors. eta vs tors. theta energy: -253.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2662.580515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.580515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.580515 (E_RNA)
where:
Base-Base interactions energy: -1850.135
where: short stacking energy: -741.439
Base-Backbone interact. energy: -4.166
local terms energy: -808.280030
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -162.180
flat angles C4'-P-C4' energy: -188.674
flat angles P-C4'-P energy: -121.440
tors. eta vs tors. theta energy: -202.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2499.418026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.418026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.418026 (E_RNA)
where:
Base-Base interactions energy: -1677.780
where: short stacking energy: -758.986
Base-Backbone interact. energy: -2.003
local terms energy: -819.635073
where:
bonds (distance) C4'-P energy: -131.980
bonds (distance) P-C4' energy: -163.169
flat angles C4'-P-C4' energy: -188.044
flat angles P-C4'-P energy: -115.589
tors. eta vs tors. theta energy: -220.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2275.183097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.183097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.183097 (E_RNA)
where:
Base-Base interactions energy: -1518.266
where: short stacking energy: -627.054
Base-Backbone interact. energy: -3.563
local terms energy: -753.353557
where:
bonds (distance) C4'-P energy: -147.511
bonds (distance) P-C4' energy: -155.905
flat angles C4'-P-C4' energy: -176.744
flat angles P-C4'-P energy: -108.162
tors. eta vs tors. theta energy: -165.032
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: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1839.559681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.559681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.559681 (E_RNA)
where:
Base-Base interactions energy: -1161.051
where: short stacking energy: -515.639
Base-Backbone interact. energy: -2.205
local terms energy: -676.304181
where:
bonds (distance) C4'-P energy: -160.779
bonds (distance) P-C4' energy: -149.260
flat angles C4'-P-C4' energy: -165.422
flat angles P-C4'-P energy: -104.855
tors. eta vs tors. theta energy: -95.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1568.038749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.038749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.038749 (E_RNA)
where:
Base-Base interactions energy: -943.266
where: short stacking energy: -440.164
Base-Backbone interact. energy: -0.569
local terms energy: -624.203722
where:
bonds (distance) C4'-P energy: -152.443
bonds (distance) P-C4' energy: -163.764
flat angles C4'-P-C4' energy: -138.251
flat angles P-C4'-P energy: -85.247
tors. eta vs tors. theta energy: -84.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1108.711527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.711527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.711527 (E_RNA)
where:
Base-Base interactions energy: -597.251
where: short stacking energy: -301.377
Base-Backbone interact. energy: 0.649
local terms energy: -512.109285
where:
bonds (distance) C4'-P energy: -131.059
bonds (distance) P-C4' energy: -149.085
flat angles C4'-P-C4' energy: -117.086
flat angles P-C4'-P energy: -88.901
tors. eta vs tors. theta energy: -25.979
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: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -713.596218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.596218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.596218 (E_RNA)
where:
Base-Base interactions energy: -260.543
where: short stacking energy: -214.543
Base-Backbone interact. energy: 3.225
local terms energy: -456.278218
where:
bonds (distance) C4'-P energy: -118.694
bonds (distance) P-C4' energy: -159.436
flat angles C4'-P-C4' energy: -135.180
flat angles P-C4'-P energy: -64.413
tors. eta vs tors. theta energy: 21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -3168.336378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3168.336378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3168.336378 (E_RNA)
where:
Base-Base interactions energy: -2213.121
where: short stacking energy: -903.687
Base-Backbone interact. energy: -0.064
local terms energy: -955.151386
where:
bonds (distance) C4'-P energy: -163.476
bonds (distance) P-C4' energy: -184.961
flat angles C4'-P-C4' energy: -206.803
flat angles P-C4'-P energy: -137.070
tors. eta vs tors. theta energy: -262.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -3062.630157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.630157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.630157 (E_RNA)
where:
Base-Base interactions energy: -2096.822
where: short stacking energy: -863.098
Base-Backbone interact. energy: -5.918
local terms energy: -959.890282
where:
bonds (distance) C4'-P energy: -179.297
bonds (distance) P-C4' energy: -185.068
flat angles C4'-P-C4' energy: -195.867
flat angles P-C4'-P energy: -121.572
tors. eta vs tors. theta energy: -278.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2950.275306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.275306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.275306 (E_RNA)
where:
Base-Base interactions energy: -2027.392
where: short stacking energy: -846.765
Base-Backbone interact. energy: -1.366
local terms energy: -921.517225
where:
bonds (distance) C4'-P energy: -168.181
bonds (distance) P-C4' energy: -163.312
flat angles C4'-P-C4' energy: -193.874
flat angles P-C4'-P energy: -135.325
tors. eta vs tors. theta energy: -260.826
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: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2656.120944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.120944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.120944 (E_RNA)
where:
Base-Base interactions energy: -1811.439
where: short stacking energy: -744.481
Base-Backbone interact. energy: 0.293
local terms energy: -844.975226
where:
bonds (distance) C4'-P energy: -154.737
bonds (distance) P-C4' energy: -166.764
flat angles C4'-P-C4' energy: -196.746
flat angles P-C4'-P energy: -115.658
tors. eta vs tors. theta energy: -211.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2541.435125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.435125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.435125 (E_RNA)
where:
Base-Base interactions energy: -1693.377
where: short stacking energy: -741.393
Base-Backbone interact. energy: -3.723
local terms energy: -844.335574
where:
bonds (distance) C4'-P energy: -152.760
bonds (distance) P-C4' energy: -173.682
flat angles C4'-P-C4' energy: -181.034
flat angles P-C4'-P energy: -121.436
tors. eta vs tors. theta energy: -215.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2230.041257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.041257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.041257 (E_RNA)
where:
Base-Base interactions energy: -1518.741
where: short stacking energy: -627.762
Base-Backbone interact. energy: -1.796
local terms energy: -709.504455
where:
bonds (distance) C4'-P energy: -129.316
bonds (distance) P-C4' energy: -161.759
flat angles C4'-P-C4' energy: -166.568
flat angles P-C4'-P energy: -105.319
tors. eta vs tors. theta energy: -146.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1879.737822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.737822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.737822 (E_RNA)
where:
Base-Base interactions energy: -1198.745
where: short stacking energy: -544.629
Base-Backbone interact. energy: -3.340
local terms energy: -677.653254
where:
bonds (distance) C4'-P energy: -154.092
bonds (distance) P-C4' energy: -147.664
flat angles C4'-P-C4' energy: -152.073
flat angles P-C4'-P energy: -94.597
tors. eta vs tors. theta energy: -129.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1666.974990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.974990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.974990 (E_RNA)
where:
Base-Base interactions energy: -1071.904
where: short stacking energy: -504.672
Base-Backbone interact. energy: -4.405
local terms energy: -590.666803
where:
bonds (distance) C4'-P energy: -129.270
bonds (distance) P-C4' energy: -150.919
flat angles C4'-P-C4' energy: -132.445
flat angles P-C4'-P energy: -79.857
tors. eta vs tors. theta energy: -98.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1131.451494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.451494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.451494 (E_RNA)
where:
Base-Base interactions energy: -618.726
where: short stacking energy: -315.007
Base-Backbone interact. energy: -3.470
local terms energy: -509.254633
where:
bonds (distance) C4'-P energy: -143.347
bonds (distance) P-C4' energy: -137.951
flat angles C4'-P-C4' energy: -132.823
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -716.808699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.808699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.808699 (E_RNA)
where:
Base-Base interactions energy: -256.618
where: short stacking energy: -185.494
Base-Backbone interact. energy: 7.491
local terms energy: -467.682009
where:
bonds (distance) C4'-P energy: -155.252
bonds (distance) P-C4' energy: -157.825
flat angles C4'-P-C4' energy: -123.190
flat angles P-C4'-P energy: -76.808
tors. eta vs tors. theta energy: 45.392
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: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -3128.828121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3128.828121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3128.828121 (E_RNA)
where:
Base-Base interactions energy: -2185.353
where: short stacking energy: -879.493
Base-Backbone interact. energy: -0.444
local terms energy: -943.031597
where:
bonds (distance) C4'-P energy: -175.159
bonds (distance) P-C4' energy: -169.473
flat angles C4'-P-C4' energy: -195.877
flat angles P-C4'-P energy: -136.878
tors. eta vs tors. theta energy: -265.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -3034.457111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.457111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.457111 (E_RNA)
where:
Base-Base interactions energy: -2113.818
where: short stacking energy: -869.930
Base-Backbone interact. energy: -4.139
local terms energy: -916.499900
where:
bonds (distance) C4'-P energy: -175.302
bonds (distance) P-C4' energy: -170.631
flat angles C4'-P-C4' energy: -181.221
flat angles P-C4'-P energy: -119.486
tors. eta vs tors. theta energy: -269.860
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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2957.656896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.656896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.656896 (E_RNA)
where:
Base-Base interactions energy: -2014.997
where: short stacking energy: -871.974
Base-Backbone interact. energy: -2.471
local terms energy: -940.189634
where:
bonds (distance) C4'-P energy: -167.024
bonds (distance) P-C4' energy: -188.060
flat angles C4'-P-C4' energy: -188.163
flat angles P-C4'-P energy: -134.531
tors. eta vs tors. theta energy: -262.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2654.966854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.966854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.966854 (E_RNA)
where:
Base-Base interactions energy: -1817.181
where: short stacking energy: -751.565
Base-Backbone interact. energy: -2.196
local terms energy: -835.590609
where:
bonds (distance) C4'-P energy: -153.218
bonds (distance) P-C4' energy: -176.636
flat angles C4'-P-C4' energy: -191.659
flat angles P-C4'-P energy: -98.027
tors. eta vs tors. theta energy: -216.051
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: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2555.611106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.611106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.611106 (E_RNA)
where:
Base-Base interactions energy: -1710.029
where: short stacking energy: -747.592
Base-Backbone interact. energy: -3.452
local terms energy: -842.130404
where:
bonds (distance) C4'-P energy: -164.583
bonds (distance) P-C4' energy: -161.091
flat angles C4'-P-C4' energy: -176.488
flat angles P-C4'-P energy: -119.903
tors. eta vs tors. theta energy: -220.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2317.826063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.826063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.826063 (E_RNA)
where:
Base-Base interactions energy: -1555.460
where: short stacking energy: -648.043
Base-Backbone interact. energy: -1.432
local terms energy: -760.933504
where:
bonds (distance) C4'-P energy: -146.060
bonds (distance) P-C4' energy: -162.357
flat angles C4'-P-C4' energy: -165.733
flat angles P-C4'-P energy: -119.918
tors. eta vs tors. theta energy: -166.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1857.713956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.713956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.713956 (E_RNA)
where:
Base-Base interactions energy: -1174.758
where: short stacking energy: -546.700
Base-Backbone interact. energy: 1.772
local terms energy: -684.728415
where:
bonds (distance) C4'-P energy: -162.368
bonds (distance) P-C4' energy: -156.652
flat angles C4'-P-C4' energy: -151.205
flat angles P-C4'-P energy: -95.112
tors. eta vs tors. theta energy: -119.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1609.737736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.737736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.737736 (E_RNA)
where:
Base-Base interactions energy: -988.768
where: short stacking energy: -476.354
Base-Backbone interact. energy: 1.411
local terms energy: -622.380408
where:
bonds (distance) C4'-P energy: -128.871
bonds (distance) P-C4' energy: -154.308
flat angles C4'-P-C4' energy: -153.133
flat angles P-C4'-P energy: -97.461
tors. eta vs tors. theta energy: -88.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1132.076536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.076536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.076536 (E_RNA)
where:
Base-Base interactions energy: -592.316
where: short stacking energy: -297.142
Base-Backbone interact. energy: 5.878
local terms energy: -545.638921
where:
bonds (distance) C4'-P energy: -148.291
bonds (distance) P-C4' energy: -138.003
flat angles C4'-P-C4' energy: -150.527
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -699.333874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.333874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.333874 (E_RNA)
where:
Base-Base interactions energy: -270.046
where: short stacking energy: -189.690
Base-Backbone interact. energy: 7.139
local terms energy: -436.426340
where:
bonds (distance) C4'-P energy: -124.557
bonds (distance) P-C4' energy: -146.995
flat angles C4'-P-C4' energy: -101.830
flat angles P-C4'-P energy: -95.612
tors. eta vs tors. theta energy: 32.569
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: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -3147.080991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3147.080991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3147.080991 (E_RNA)
where:
Base-Base interactions energy: -2180.284
where: short stacking energy: -879.754
Base-Backbone interact. energy: -4.439
local terms energy: -962.358315
where:
bonds (distance) C4'-P energy: -177.267
bonds (distance) P-C4' energy: -175.476
flat angles C4'-P-C4' energy: -197.331
flat angles P-C4'-P energy: -149.572
tors. eta vs tors. theta energy: -262.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -3028.120768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.120768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.120768 (E_RNA)
where:
Base-Base interactions energy: -2072.396
where: short stacking energy: -874.311
Base-Backbone interact. energy: -4.518
local terms energy: -951.206395
where:
bonds (distance) C4'-P energy: -168.652
bonds (distance) P-C4' energy: -175.744
flat angles C4'-P-C4' energy: -204.011
flat angles P-C4'-P energy: -129.828
tors. eta vs tors. theta energy: -272.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2875.081439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.081439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.081439 (E_RNA)
where:
Base-Base interactions energy: -1976.181
where: short stacking energy: -806.657
Base-Backbone interact. energy: -2.569
local terms energy: -896.332108
where:
bonds (distance) C4'-P energy: -175.467
bonds (distance) P-C4' energy: -171.974
flat angles C4'-P-C4' energy: -188.563
flat angles P-C4'-P energy: -111.762
tors. eta vs tors. theta energy: -248.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2629.744162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.744162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.744162 (E_RNA)
where:
Base-Base interactions energy: -1803.964
where: short stacking energy: -737.540
Base-Backbone interact. energy: 0.233
local terms energy: -826.014015
where:
bonds (distance) C4'-P energy: -147.410
bonds (distance) P-C4' energy: -165.799
flat angles C4'-P-C4' energy: -182.393
flat angles P-C4'-P energy: -116.698
tors. eta vs tors. theta energy: -213.714
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: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2557.929858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.929858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.929858 (E_RNA)
where:
Base-Base interactions energy: -1669.545
where: short stacking energy: -768.404
Base-Backbone interact. energy: -0.980
local terms energy: -887.405070
where:
bonds (distance) C4'-P energy: -154.566
bonds (distance) P-C4' energy: -167.562
flat angles C4'-P-C4' energy: -199.672
flat angles P-C4'-P energy: -125.042
tors. eta vs tors. theta energy: -240.563
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: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2309.847789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.847789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.847789 (E_RNA)
where:
Base-Base interactions energy: -1556.020
where: short stacking energy: -654.915
Base-Backbone interact. energy: -4.050
local terms energy: -749.778034
where:
bonds (distance) C4'-P energy: -149.597
bonds (distance) P-C4' energy: -169.520
flat angles C4'-P-C4' energy: -168.466
flat angles P-C4'-P energy: -91.819
tors. eta vs tors. theta energy: -170.375
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: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1785.046042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.046042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.046042 (E_RNA)
where:
Base-Base interactions energy: -1121.762
where: short stacking energy: -503.152
Base-Backbone interact. energy: 7.732
local terms energy: -671.016733
where:
bonds (distance) C4'-P energy: -168.006
bonds (distance) P-C4' energy: -131.104
flat angles C4'-P-C4' energy: -159.588
flat angles P-C4'-P energy: -109.323
tors. eta vs tors. theta energy: -102.995
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: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1675.645671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.645671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.645671 (E_RNA)
where:
Base-Base interactions energy: -1072.084
where: short stacking energy: -492.477
Base-Backbone interact. energy: 12.899
local terms energy: -616.460789
where:
bonds (distance) C4'-P energy: -132.118
bonds (distance) P-C4' energy: -141.433
flat angles C4'-P-C4' energy: -159.855
flat angles P-C4'-P energy: -103.991
tors. eta vs tors. theta energy: -79.063
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: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1150.650375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.650375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.650375 (E_RNA)
where:
Base-Base interactions energy: -631.538
where: short stacking energy: -334.198
Base-Backbone interact. energy: 5.896
local terms energy: -525.008102
where:
bonds (distance) C4'-P energy: -148.622
bonds (distance) P-C4' energy: -163.214
flat angles C4'-P-C4' energy: -134.084
flat angles P-C4'-P energy: -68.205
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -686.808505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.808505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.808505 (E_RNA)
where:
Base-Base interactions energy: -225.555
where: short stacking energy: -191.258
Base-Backbone interact. energy: -1.571
local terms energy: -459.682276
where:
bonds (distance) C4'-P energy: -155.866
bonds (distance) P-C4' energy: -157.655
flat angles C4'-P-C4' energy: -105.167
flat angles P-C4'-P energy: -74.678
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: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -3140.055919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3140.055919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3140.055919 (E_RNA)
where:
Base-Base interactions energy: -2206.442
where: short stacking energy: -910.091
Base-Backbone interact. energy: -2.583
local terms energy: -931.030670
where:
bonds (distance) C4'-P energy: -187.290
bonds (distance) P-C4' energy: -157.305
flat angles C4'-P-C4' energy: -188.097
flat angles P-C4'-P energy: -141.520
tors. eta vs tors. theta energy: -256.819
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: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -3033.435564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.435564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.435564 (E_RNA)
where:
Base-Base interactions energy: -2087.115
where: short stacking energy: -882.317
Base-Backbone interact. energy: -5.189
local terms energy: -941.131603
where:
bonds (distance) C4'-P energy: -181.441
bonds (distance) P-C4' energy: -155.658
flat angles C4'-P-C4' energy: -196.371
flat angles P-C4'-P energy: -130.290
tors. eta vs tors. theta energy: -277.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2878.101737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.101737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.101737 (E_RNA)
where:
Base-Base interactions energy: -1951.078
where: short stacking energy: -822.121
Base-Backbone interact. energy: -1.790
local terms energy: -925.233596
where:
bonds (distance) C4'-P energy: -165.337
bonds (distance) P-C4' energy: -183.961
flat angles C4'-P-C4' energy: -202.681
flat angles P-C4'-P energy: -129.352
tors. eta vs tors. theta energy: -243.902
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: 482
Temperature: 1.050000
Total energy: -2662.325447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.325447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.325447 (E_RNA)
where:
Base-Base interactions energy: -1796.775
where: short stacking energy: -749.611
Base-Backbone interact. energy: 0.752
local terms energy: -866.302416
where:
bonds (distance) C4'-P energy: -163.965
bonds (distance) P-C4' energy: -159.046
flat angles C4'-P-C4' energy: -191.012
flat angles P-C4'-P energy: -119.517
tors. eta vs tors. theta energy: -232.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2552.183165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.183165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.183165 (E_RNA)
where:
Base-Base interactions energy: -1716.135
where: short stacking energy: -737.078
Base-Backbone interact. energy: 0.256
local terms energy: -836.303567
where:
bonds (distance) C4'-P energy: -142.886
bonds (distance) P-C4' energy: -166.833
flat angles C4'-P-C4' energy: -176.448
flat angles P-C4'-P energy: -123.835
tors. eta vs tors. theta energy: -226.302
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: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2317.534053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.534053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.534053 (E_RNA)
where:
Base-Base interactions energy: -1509.752
where: short stacking energy: -639.190
Base-Backbone interact. energy: -8.579
local terms energy: -799.202501
where:
bonds (distance) C4'-P energy: -162.281
bonds (distance) P-C4' energy: -160.603
flat angles C4'-P-C4' energy: -187.225
flat angles P-C4'-P energy: -112.048
tors. eta vs tors. theta energy: -177.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1808.115271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.115271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.115271 (E_RNA)
where:
Base-Base interactions energy: -1137.185
where: short stacking energy: -510.391
Base-Backbone interact. energy: -3.033
local terms energy: -667.897167
where:
bonds (distance) C4'-P energy: -167.641
bonds (distance) P-C4' energy: -148.524
flat angles C4'-P-C4' energy: -169.991
flat angles P-C4'-P energy: -75.874
tors. eta vs tors. theta energy: -105.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1576.387947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.387947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.387947 (E_RNA)
where:
Base-Base interactions energy: -934.171
where: short stacking energy: -436.113
Base-Backbone interact. energy: -4.546
local terms energy: -637.670862
where:
bonds (distance) C4'-P energy: -129.739
bonds (distance) P-C4' energy: -151.114
flat angles C4'-P-C4' energy: -157.827
flat angles P-C4'-P energy: -100.242
tors. eta vs tors. theta energy: -98.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1147.941323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.941323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.941323 (E_RNA)
where:
Base-Base interactions energy: -614.344
where: short stacking energy: -320.388
Base-Backbone interact. energy: 0.029
local terms energy: -533.625589
where:
bonds (distance) C4'-P energy: -140.698
bonds (distance) P-C4' energy: -132.039
flat angles C4'-P-C4' energy: -148.020
flat angles P-C4'-P energy: -91.016
tors. eta vs tors. theta energy: -21.853
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: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -710.069826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.069826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.069826 (E_RNA)
where:
Base-Base interactions energy: -223.878
where: short stacking energy: -168.622
Base-Backbone interact. energy: -0.291
local terms energy: -485.900301
where:
bonds (distance) C4'-P energy: -156.419
bonds (distance) P-C4' energy: -169.722
flat angles C4'-P-C4' energy: -132.712
flat angles P-C4'-P energy: -66.480
tors. eta vs tors. theta energy: 39.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -3215.712246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3215.712246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3215.712246 (E_RNA)
where:
Base-Base interactions energy: -2230.559
where: short stacking energy: -896.652
Base-Backbone interact. energy: 1.541
local terms energy: -986.694350
where:
bonds (distance) C4'-P energy: -175.502
bonds (distance) P-C4' energy: -181.468
flat angles C4'-P-C4' energy: -203.701
flat angles P-C4'-P energy: -152.381
tors. eta vs tors. theta energy: -273.642
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: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -3020.552621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.552621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.552621 (E_RNA)
where:
Base-Base interactions energy: -2062.984
where: short stacking energy: -852.598
Base-Backbone interact. energy: 0.582
local terms energy: -958.150152
where:
bonds (distance) C4'-P energy: -162.686
bonds (distance) P-C4' energy: -183.026
flat angles C4'-P-C4' energy: -209.232
flat angles P-C4'-P energy: -127.998
tors. eta vs tors. theta energy: -275.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2925.906694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.906694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.906694 (E_RNA)
where:
Base-Base interactions energy: -1995.318
where: short stacking energy: -841.301
Base-Backbone interact. energy: -0.632
local terms energy: -929.956700
where:
bonds (distance) C4'-P energy: -166.388
bonds (distance) P-C4' energy: -176.465
flat angles C4'-P-C4' energy: -198.483
flat angles P-C4'-P energy: -123.621
tors. eta vs tors. theta energy: -265.000
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: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2636.338292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.338292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.338292 (E_RNA)
where:
Base-Base interactions energy: -1781.829
where: short stacking energy: -738.623
Base-Backbone interact. energy: -5.194
local terms energy: -849.315550
where:
bonds (distance) C4'-P energy: -161.154
bonds (distance) P-C4' energy: -156.724
flat angles C4'-P-C4' energy: -205.186
flat angles P-C4'-P energy: -108.250
tors. eta vs tors. theta energy: -218.002
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: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2602.913738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.913738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.913738 (E_RNA)
where:
Base-Base interactions energy: -1748.878
where: short stacking energy: -755.797
Base-Backbone interact. energy: -3.271
local terms energy: -850.764087
where:
bonds (distance) C4'-P energy: -165.361
bonds (distance) P-C4' energy: -172.929
flat angles C4'-P-C4' energy: -183.154
flat angles P-C4'-P energy: -114.059
tors. eta vs tors. theta energy: -215.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2302.795616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.795616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.795616 (E_RNA)
where:
Base-Base interactions energy: -1507.824
where: short stacking energy: -651.483
Base-Backbone interact. energy: -4.871
local terms energy: -790.101060
where:
bonds (distance) C4'-P energy: -173.130
bonds (distance) P-C4' energy: -175.767
flat angles C4'-P-C4' energy: -166.433
flat angles P-C4'-P energy: -117.952
tors. eta vs tors. theta energy: -156.819
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: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1828.462998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.462998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.462998 (E_RNA)
where:
Base-Base interactions energy: -1139.281
where: short stacking energy: -514.371
Base-Backbone interact. energy: 3.545
local terms energy: -692.726816
where:
bonds (distance) C4'-P energy: -165.074
bonds (distance) P-C4' energy: -157.909
flat angles C4'-P-C4' energy: -156.496
flat angles P-C4'-P energy: -100.199
tors. eta vs tors. theta energy: -113.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1661.236322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.236322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.236322 (E_RNA)
where:
Base-Base interactions energy: -1017.175
where: short stacking energy: -480.617
Base-Backbone interact. energy: 2.264
local terms energy: -646.325122
where:
bonds (distance) C4'-P energy: -132.444
bonds (distance) P-C4' energy: -162.565
flat angles C4'-P-C4' energy: -161.636
flat angles P-C4'-P energy: -93.688
tors. eta vs tors. theta energy: -95.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1173.644980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.644980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.644980 (E_RNA)
where:
Base-Base interactions energy: -614.853
where: short stacking energy: -324.341
Base-Backbone interact. energy: -1.663
local terms energy: -557.129238
where:
bonds (distance) C4'-P energy: -148.918
bonds (distance) P-C4' energy: -162.165
flat angles C4'-P-C4' energy: -144.968
flat angles P-C4'-P energy: -90.165
tors. eta vs tors. theta energy: -10.913
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: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -766.161087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.161087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.161087 (E_RNA)
where:
Base-Base interactions energy: -317.750
where: short stacking energy: -235.161
Base-Backbone interact. energy: 4.234
local terms energy: -452.644813
where:
bonds (distance) C4'-P energy: -155.872
bonds (distance) P-C4' energy: -133.202
flat angles C4'-P-C4' energy: -111.538
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: 28.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -3179.755885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3179.755885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3179.755885 (E_RNA)
where:
Base-Base interactions energy: -2208.098
where: short stacking energy: -910.452
Base-Backbone interact. energy: -3.537
local terms energy: -968.120712
where:
bonds (distance) C4'-P energy: -181.082
bonds (distance) P-C4' energy: -182.072
flat angles C4'-P-C4' energy: -213.469
flat angles P-C4'-P energy: -121.089
tors. eta vs tors. theta energy: -270.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -3055.208833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3055.208833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3055.208833 (E_RNA)
where:
Base-Base interactions energy: -2074.617
where: short stacking energy: -904.455
Base-Backbone interact. energy: -7.973
local terms energy: -972.619000
where:
bonds (distance) C4'-P energy: -177.746
bonds (distance) P-C4' energy: -188.957
flat angles C4'-P-C4' energy: -205.207
flat angles P-C4'-P energy: -117.888
tors. eta vs tors. theta energy: -282.821
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: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2948.349433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.349433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.349433 (E_RNA)
where:
Base-Base interactions energy: -2020.927
where: short stacking energy: -822.617
Base-Backbone interact. energy: -4.318
local terms energy: -923.104467
where:
bonds (distance) C4'-P energy: -154.063
bonds (distance) P-C4' energy: -177.629
flat angles C4'-P-C4' energy: -189.480
flat angles P-C4'-P energy: -142.639
tors. eta vs tors. theta energy: -259.294
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: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2577.005611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.005611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.005611 (E_RNA)
where:
Base-Base interactions energy: -1743.699
where: short stacking energy: -740.967
Base-Backbone interact. energy: -0.513
local terms energy: -832.793660
where:
bonds (distance) C4'-P energy: -147.025
bonds (distance) P-C4' energy: -161.996
flat angles C4'-P-C4' energy: -178.310
flat angles P-C4'-P energy: -119.258
tors. eta vs tors. theta energy: -226.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2526.510547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.510547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.510547 (E_RNA)
where:
Base-Base interactions energy: -1699.823
where: short stacking energy: -742.644
Base-Backbone interact. energy: -3.721
local terms energy: -822.966423
where:
bonds (distance) C4'-P energy: -145.773
bonds (distance) P-C4' energy: -159.115
flat angles C4'-P-C4' energy: -193.315
flat angles P-C4'-P energy: -108.343
tors. eta vs tors. theta energy: -216.420
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: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2253.069622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.069622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.069622 (E_RNA)
where:
Base-Base interactions energy: -1529.515
where: short stacking energy: -625.967
Base-Backbone interact. energy: -3.964
local terms energy: -719.590752
where:
bonds (distance) C4'-P energy: -139.977
bonds (distance) P-C4' energy: -179.199
flat angles C4'-P-C4' energy: -155.012
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -147.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1860.612819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.612819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.612819 (E_RNA)
where:
Base-Base interactions energy: -1195.982
where: short stacking energy: -562.389
Base-Backbone interact. energy: 4.781
local terms energy: -669.411795
where:
bonds (distance) C4'-P energy: -140.286
bonds (distance) P-C4' energy: -150.291
flat angles C4'-P-C4' energy: -161.468
flat angles P-C4'-P energy: -94.196
tors. eta vs tors. theta energy: -123.171
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: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1573.000265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.000265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.000265 (E_RNA)
where:
Base-Base interactions energy: -974.949
where: short stacking energy: -429.263
Base-Backbone interact. energy: -3.416
local terms energy: -594.635304
where:
bonds (distance) C4'-P energy: -151.100
bonds (distance) P-C4' energy: -139.196
flat angles C4'-P-C4' energy: -140.435
flat angles P-C4'-P energy: -99.815
tors. eta vs tors. theta energy: -64.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1243.797006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.797006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.797006 (E_RNA)
where:
Base-Base interactions energy: -730.584
where: short stacking energy: -386.936
Base-Backbone interact. energy: 7.526
local terms energy: -520.738454
where:
bonds (distance) C4'-P energy: -151.826
bonds (distance) P-C4' energy: -147.973
flat angles C4'-P-C4' energy: -121.344
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -40.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -750.178837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.178837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.178837 (E_RNA)
where:
Base-Base interactions energy: -298.186
where: short stacking energy: -219.634
Base-Backbone interact. energy: -1.161
local terms energy: -450.831671
where:
bonds (distance) C4'-P energy: -135.533
bonds (distance) P-C4' energy: -139.213
flat angles C4'-P-C4' energy: -129.051
flat angles P-C4'-P energy: -75.107
tors. eta vs tors. theta energy: 28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -3185.196841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3185.196841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3185.196841 (E_RNA)
where:
Base-Base interactions energy: -2212.429
where: short stacking energy: -921.718
Base-Backbone interact. energy: -6.219
local terms energy: -966.549575
where:
bonds (distance) C4'-P energy: -177.278
bonds (distance) P-C4' energy: -173.287
flat angles C4'-P-C4' energy: -203.082
flat angles P-C4'-P energy: -136.416
tors. eta vs tors. theta energy: -276.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -3042.864486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.864486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.864486 (E_RNA)
where:
Base-Base interactions energy: -2069.222
where: short stacking energy: -887.112
Base-Backbone interact. energy: -1.011
local terms energy: -972.632005
where:
bonds (distance) C4'-P energy: -180.773
bonds (distance) P-C4' energy: -180.414
flat angles C4'-P-C4' energy: -206.193
flat angles P-C4'-P energy: -126.792
tors. eta vs tors. theta energy: -278.459
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: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2921.613121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.613121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.613121 (E_RNA)
where:
Base-Base interactions energy: -1968.583
where: short stacking energy: -830.728
Base-Backbone interact. energy: -2.964
local terms energy: -950.066017
where:
bonds (distance) C4'-P energy: -171.431
bonds (distance) P-C4' energy: -183.931
flat angles C4'-P-C4' energy: -211.450
flat angles P-C4'-P energy: -130.376
tors. eta vs tors. theta energy: -252.877
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: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2546.217546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.217546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.217546 (E_RNA)
where:
Base-Base interactions energy: -1710.268
where: short stacking energy: -713.673
Base-Backbone interact. energy: -2.588
local terms energy: -833.361100
where:
bonds (distance) C4'-P energy: -171.352
bonds (distance) P-C4' energy: -140.949
flat angles C4'-P-C4' energy: -197.478
flat angles P-C4'-P energy: -116.651
tors. eta vs tors. theta energy: -206.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2551.662564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.662564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.662564 (E_RNA)
where:
Base-Base interactions energy: -1716.656
where: short stacking energy: -742.383
Base-Backbone interact. energy: -2.013
local terms energy: -832.993309
where:
bonds (distance) C4'-P energy: -155.869
bonds (distance) P-C4' energy: -154.488
flat angles C4'-P-C4' energy: -189.305
flat angles P-C4'-P energy: -117.722
tors. eta vs tors. theta energy: -215.609
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: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2211.518206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.518206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.518206 (E_RNA)
where:
Base-Base interactions energy: -1456.427
where: short stacking energy: -623.250
Base-Backbone interact. energy: -4.692
local terms energy: -750.399064
where:
bonds (distance) C4'-P energy: -153.145
bonds (distance) P-C4' energy: -179.003
flat angles C4'-P-C4' energy: -166.936
flat angles P-C4'-P energy: -89.424
tors. eta vs tors. theta energy: -161.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1830.009863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.009863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.009863 (E_RNA)
where:
Base-Base interactions energy: -1125.839
where: short stacking energy: -535.445
Base-Backbone interact. energy: 0.372
local terms energy: -704.543066
where:
bonds (distance) C4'-P energy: -154.817
bonds (distance) P-C4' energy: -163.971
flat angles C4'-P-C4' energy: -162.410
flat angles P-C4'-P energy: -107.824
tors. eta vs tors. theta energy: -115.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1583.809744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.809744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.809744 (E_RNA)
where:
Base-Base interactions energy: -978.493
where: short stacking energy: -452.468
Base-Backbone interact. energy: 2.363
local terms energy: -607.680004
where:
bonds (distance) C4'-P energy: -128.084
bonds (distance) P-C4' energy: -163.079
flat angles C4'-P-C4' energy: -139.667
flat angles P-C4'-P energy: -94.016
tors. eta vs tors. theta energy: -82.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1301.300125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.300125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.300125 (E_RNA)
where:
Base-Base interactions energy: -766.609
where: short stacking energy: -381.999
Base-Backbone interact. energy: 1.039
local terms energy: -535.730719
where:
bonds (distance) C4'-P energy: -153.075
bonds (distance) P-C4' energy: -137.937
flat angles C4'-P-C4' energy: -142.697
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -50.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -758.606011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.606011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.606011 (E_RNA)
where:
Base-Base interactions energy: -277.142
where: short stacking energy: -209.078
Base-Backbone interact. energy: 7.576
local terms energy: -489.040309
where:
bonds (distance) C4'-P energy: -153.131
bonds (distance) P-C4' energy: -152.283
flat angles C4'-P-C4' energy: -127.481
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: 35.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -3192.660167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3192.660167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3192.660167 (E_RNA)
where:
Base-Base interactions energy: -2230.090
where: short stacking energy: -915.305
Base-Backbone interact. energy: 0.272
local terms energy: -962.842103
where:
bonds (distance) C4'-P energy: -179.699
bonds (distance) P-C4' energy: -185.879
flat angles C4'-P-C4' energy: -188.835
flat angles P-C4'-P energy: -132.406
tors. eta vs tors. theta energy: -276.024
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: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -3021.444474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3021.444474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3021.444474 (E_RNA)
where:
Base-Base interactions energy: -2057.767
where: short stacking energy: -895.447
Base-Backbone interact. energy: -5.974
local terms energy: -957.703745
where:
bonds (distance) C4'-P energy: -154.908
bonds (distance) P-C4' energy: -177.936
flat angles C4'-P-C4' energy: -204.033
flat angles P-C4'-P energy: -137.199
tors. eta vs tors. theta energy: -283.629
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: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2950.838747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.838747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.838747 (E_RNA)
where:
Base-Base interactions energy: -2020.651
where: short stacking energy: -848.603
Base-Backbone interact. energy: -2.711
local terms energy: -927.477149
where:
bonds (distance) C4'-P energy: -170.716
bonds (distance) P-C4' energy: -165.663
flat angles C4'-P-C4' energy: -199.276
flat angles P-C4'-P energy: -130.700
tors. eta vs tors. theta energy: -261.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2621.219494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.219494 (E_RNA)
where:
Base-Base interactions energy: -1784.078
where: short stacking energy: -734.743
Base-Backbone interact. energy: -2.853
local terms energy: -834.288312
where:
bonds (distance) C4'-P energy: -170.783
bonds (distance) P-C4' energy: -166.598
flat angles C4'-P-C4' energy: -179.037
flat angles P-C4'-P energy: -110.800
tors. eta vs tors. theta energy: -207.071
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: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2598.106183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.106183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.106183 (E_RNA)
where:
Base-Base interactions energy: -1769.969
where: short stacking energy: -808.772
Base-Backbone interact. energy: -2.318
local terms energy: -825.819907
where:
bonds (distance) C4'-P energy: -170.851
bonds (distance) P-C4' energy: -141.871
flat angles C4'-P-C4' energy: -186.752
flat angles P-C4'-P energy: -96.778
tors. eta vs tors. theta energy: -229.568
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: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2187.262464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.262464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.262464 (E_RNA)
where:
Base-Base interactions energy: -1452.721
where: short stacking energy: -607.504
Base-Backbone interact. energy: 0.112
local terms energy: -734.653472
where:
bonds (distance) C4'-P energy: -161.152
bonds (distance) P-C4' energy: -143.983
flat angles C4'-P-C4' energy: -184.639
flat angles P-C4'-P energy: -95.775
tors. eta vs tors. theta energy: -149.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1807.628604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.628604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.628604 (E_RNA)
where:
Base-Base interactions energy: -1126.956
where: short stacking energy: -525.483
Base-Backbone interact. energy: -0.377
local terms energy: -680.295650
where:
bonds (distance) C4'-P energy: -155.381
bonds (distance) P-C4' energy: -155.633
flat angles C4'-P-C4' energy: -149.859
flat angles P-C4'-P energy: -111.820
tors. eta vs tors. theta energy: -107.602
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1506.416596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.416596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.416596 (E_RNA)
where:
Base-Base interactions energy: -906.781
where: short stacking energy: -453.207
Base-Backbone interact. energy: 3.012
local terms energy: -602.647584
where:
bonds (distance) C4'-P energy: -124.247
bonds (distance) P-C4' energy: -168.233
flat angles C4'-P-C4' energy: -159.165
flat angles P-C4'-P energy: -83.131
tors. eta vs tors. theta energy: -67.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1387.199189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.199189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.199189 (E_RNA)
where:
Base-Base interactions energy: -813.978
where: short stacking energy: -396.112
Base-Backbone interact. energy: 4.212
local terms energy: -577.433603
where:
bonds (distance) C4'-P energy: -153.169
bonds (distance) P-C4' energy: -145.925
flat angles C4'-P-C4' energy: -149.330
flat angles P-C4'-P energy: -72.967
tors. eta vs tors. theta energy: -56.042
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -730.876393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.876393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.876393 (E_RNA)
where:
Base-Base interactions energy: -300.939
where: short stacking energy: -212.492
Base-Backbone interact. energy: 3.506
local terms energy: -433.443574
where:
bonds (distance) C4'-P energy: -152.389
bonds (distance) P-C4' energy: -132.243
flat angles C4'-P-C4' energy: -118.926
flat angles P-C4'-P energy: -74.461
tors. eta vs tors. theta energy: 44.575
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: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -3195.530769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3195.530769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3195.530769 (E_RNA)
where:
Base-Base interactions energy: -2226.293
where: short stacking energy: -889.421
Base-Backbone interact. energy: -6.112
local terms energy: -963.125700
where:
bonds (distance) C4'-P energy: -168.618
bonds (distance) P-C4' energy: -175.608
flat angles C4'-P-C4' energy: -208.134
flat angles P-C4'-P energy: -138.757
tors. eta vs tors. theta energy: -272.009
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: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2996.314951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.314951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.314951 (E_RNA)
where:
Base-Base interactions energy: -2038.564
where: short stacking energy: -860.915
Base-Backbone interact. energy: -0.859
local terms energy: -956.891979
where:
bonds (distance) C4'-P energy: -177.416
bonds (distance) P-C4' energy: -177.594
flat angles C4'-P-C4' energy: -201.426
flat angles P-C4'-P energy: -141.364
tors. eta vs tors. theta energy: -259.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2979.097856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.097856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.097856 (E_RNA)
where:
Base-Base interactions energy: -2044.751
where: short stacking energy: -857.115
Base-Backbone interact. energy: 1.217
local terms energy: -935.563327
where:
bonds (distance) C4'-P energy: -173.524
bonds (distance) P-C4' energy: -154.690
flat angles C4'-P-C4' energy: -196.368
flat angles P-C4'-P energy: -143.785
tors. eta vs tors. theta energy: -267.196
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: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2696.819545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.819545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.819545 (E_RNA)
where:
Base-Base interactions energy: -1824.530
where: short stacking energy: -797.905
Base-Backbone interact. energy: -3.040
local terms energy: -869.250134
where:
bonds (distance) C4'-P energy: -161.684
bonds (distance) P-C4' energy: -162.591
flat angles C4'-P-C4' energy: -185.767
flat angles P-C4'-P energy: -118.634
tors. eta vs tors. theta energy: -240.574
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: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2495.293539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.293539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.293539 (E_RNA)
where:
Base-Base interactions energy: -1679.621
where: short stacking energy: -704.931
Base-Backbone interact. energy: -3.849
local terms energy: -811.823383
where:
bonds (distance) C4'-P energy: -164.289
bonds (distance) P-C4' energy: -158.873
flat angles C4'-P-C4' energy: -174.741
flat angles P-C4'-P energy: -128.432
tors. eta vs tors. theta energy: -185.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2189.528702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.528702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.528702 (E_RNA)
where:
Base-Base interactions energy: -1455.536
where: short stacking energy: -612.371
Base-Backbone interact. energy: -1.996
local terms energy: -731.995954
where:
bonds (distance) C4'-P energy: -135.866
bonds (distance) P-C4' energy: -156.850
flat angles C4'-P-C4' energy: -179.655
flat angles P-C4'-P energy: -103.953
tors. eta vs tors. theta energy: -155.672
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: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1948.118361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.118361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.118361 (E_RNA)
where:
Base-Base interactions energy: -1228.537
where: short stacking energy: -559.086
Base-Backbone interact. energy: -3.187
local terms energy: -716.394654
where:
bonds (distance) C4'-P energy: -157.427
bonds (distance) P-C4' energy: -182.875
flat angles C4'-P-C4' energy: -152.664
flat angles P-C4'-P energy: -90.368
tors. eta vs tors. theta energy: -133.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1505.128328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.128328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.128328 (E_RNA)
where:
Base-Base interactions energy: -887.465
where: short stacking energy: -447.087
Base-Backbone interact. energy: -4.638
local terms energy: -613.025570
where:
bonds (distance) C4'-P energy: -146.742
bonds (distance) P-C4' energy: -152.573
flat angles C4'-P-C4' energy: -143.592
flat angles P-C4'-P energy: -97.554
tors. eta vs tors. theta energy: -72.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1267.977806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.977806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.977806 (E_RNA)
where:
Base-Base interactions energy: -741.167
where: short stacking energy: -374.811
Base-Backbone interact. energy: 5.161
local terms energy: -531.971849
where:
bonds (distance) C4'-P energy: -133.630
bonds (distance) P-C4' energy: -146.723
flat angles C4'-P-C4' energy: -111.269
flat angles P-C4'-P energy: -95.943
tors. eta vs tors. theta energy: -44.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -756.037227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.037227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.037227 (E_RNA)
where:
Base-Base interactions energy: -301.407
where: short stacking energy: -193.950
Base-Backbone interact. energy: 7.395
local terms energy: -462.025408
where:
bonds (distance) C4'-P energy: -151.996
bonds (distance) P-C4' energy: -164.129
flat angles C4'-P-C4' energy: -126.458
flat angles P-C4'-P energy: -62.973
tors. eta vs tors. theta energy: 43.530
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: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -3191.822862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3191.822862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3191.822862 (E_RNA)
where:
Base-Base interactions energy: -2246.942
where: short stacking energy: -918.741
Base-Backbone interact. energy: -3.087
local terms energy: -941.794501
where:
bonds (distance) C4'-P energy: -170.041
bonds (distance) P-C4' energy: -170.931
flat angles C4'-P-C4' energy: -194.905
flat angles P-C4'-P energy: -129.967
tors. eta vs tors. theta energy: -275.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -3038.504578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.504578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.504578 (E_RNA)
where:
Base-Base interactions energy: -2083.836
where: short stacking energy: -877.314
Base-Backbone interact. energy: -1.045
local terms energy: -953.624015
where:
bonds (distance) C4'-P energy: -158.551
bonds (distance) P-C4' energy: -197.127
flat angles C4'-P-C4' energy: -207.413
flat angles P-C4'-P energy: -132.978
tors. eta vs tors. theta energy: -257.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2978.072233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.072233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.072233 (E_RNA)
where:
Base-Base interactions energy: -2048.322
where: short stacking energy: -848.217
Base-Backbone interact. energy: -3.035
local terms energy: -926.715479
where:
bonds (distance) C4'-P energy: -165.747
bonds (distance) P-C4' energy: -164.807
flat angles C4'-P-C4' energy: -197.043
flat angles P-C4'-P energy: -132.796
tors. eta vs tors. theta energy: -266.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2715.743441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.743441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.743441 (E_RNA)
where:
Base-Base interactions energy: -1834.385
where: short stacking energy: -790.352
Base-Backbone interact. energy: -2.597
local terms energy: -878.762063
where:
bonds (distance) C4'-P energy: -153.091
bonds (distance) P-C4' energy: -177.466
flat angles C4'-P-C4' energy: -193.240
flat angles P-C4'-P energy: -115.472
tors. eta vs tors. theta energy: -239.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2492.785862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.785862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.785862 (E_RNA)
where:
Base-Base interactions energy: -1688.738
where: short stacking energy: -695.148
Base-Backbone interact. energy: -1.139
local terms energy: -802.909198
where:
bonds (distance) C4'-P energy: -176.125
bonds (distance) P-C4' energy: -171.391
flat angles C4'-P-C4' energy: -165.602
flat angles P-C4'-P energy: -101.794
tors. eta vs tors. theta energy: -187.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2260.804241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.804241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.804241 (E_RNA)
where:
Base-Base interactions energy: -1507.536
where: short stacking energy: -659.200
Base-Backbone interact. energy: -1.713
local terms energy: -751.555444
where:
bonds (distance) C4'-P energy: -163.105
bonds (distance) P-C4' energy: -144.092
flat angles C4'-P-C4' energy: -160.176
flat angles P-C4'-P energy: -108.449
tors. eta vs tors. theta energy: -175.734
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: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1904.821045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.821045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.821045 (E_RNA)
where:
Base-Base interactions energy: -1156.792
where: short stacking energy: -550.120
Base-Backbone interact. energy: 3.106
local terms energy: -751.135201
where:
bonds (distance) C4'-P energy: -158.090
bonds (distance) P-C4' energy: -179.340
flat angles C4'-P-C4' energy: -175.093
flat angles P-C4'-P energy: -109.796
tors. eta vs tors. theta energy: -128.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1545.061405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.061405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.061405 (E_RNA)
where:
Base-Base interactions energy: -944.968
where: short stacking energy: -446.234
Base-Backbone interact. energy: 0.017
local terms energy: -600.110397
where:
bonds (distance) C4'-P energy: -137.283
bonds (distance) P-C4' energy: -158.129
flat angles C4'-P-C4' energy: -134.249
flat angles P-C4'-P energy: -87.900
tors. eta vs tors. theta energy: -82.550
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: 488
Temperature: 1.300000
Total energy: -1220.639430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.639430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.639430 (E_RNA)
where:
Base-Base interactions energy: -663.727
where: short stacking energy: -349.933
Base-Backbone interact. energy: 5.332
local terms energy: -562.244723
where:
bonds (distance) C4'-P energy: -136.058
bonds (distance) P-C4' energy: -132.810
flat angles C4'-P-C4' energy: -152.060
flat angles P-C4'-P energy: -91.616
tors. eta vs tors. theta energy: -49.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -729.993299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.993299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.993299 (E_RNA)
where:
Base-Base interactions energy: -283.766
where: short stacking energy: -225.812
Base-Backbone interact. energy: 4.523
local terms energy: -450.750368
where:
bonds (distance) C4'-P energy: -136.884
bonds (distance) P-C4' energy: -149.561
flat angles C4'-P-C4' energy: -132.354
flat angles P-C4'-P energy: -65.069
tors. eta vs tors. theta energy: 33.117
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: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -3181.649229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3181.649229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3181.649229 (E_RNA)
where:
Base-Base interactions energy: -2213.453
where: short stacking energy: -919.896
Base-Backbone interact. energy: -0.542
local terms energy: -967.654107
where:
bonds (distance) C4'-P energy: -176.474
bonds (distance) P-C4' energy: -179.895
flat angles C4'-P-C4' energy: -208.969
flat angles P-C4'-P energy: -124.071
tors. eta vs tors. theta energy: -278.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -3008.840853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.840853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.840853 (E_RNA)
where:
Base-Base interactions energy: -2040.931
where: short stacking energy: -880.533
Base-Backbone interact. energy: 1.232
local terms energy: -969.142293
where:
bonds (distance) C4'-P energy: -186.262
bonds (distance) P-C4' energy: -187.056
flat angles C4'-P-C4' energy: -203.905
flat angles P-C4'-P energy: -137.779
tors. eta vs tors. theta energy: -254.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2958.345967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.345967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.345967 (E_RNA)
where:
Base-Base interactions energy: -2044.250
where: short stacking energy: -861.441
Base-Backbone interact. energy: -4.312
local terms energy: -909.783662
where:
bonds (distance) C4'-P energy: -165.730
bonds (distance) P-C4' energy: -160.367
flat angles C4'-P-C4' energy: -190.025
flat angles P-C4'-P energy: -127.334
tors. eta vs tors. theta energy: -266.327
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: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2645.422239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.422239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.422239 (E_RNA)
where:
Base-Base interactions energy: -1781.111
where: short stacking energy: -767.564
Base-Backbone interact. energy: -2.984
local terms energy: -861.327460
where:
bonds (distance) C4'-P energy: -172.842
bonds (distance) P-C4' energy: -155.748
flat angles C4'-P-C4' energy: -181.572
flat angles P-C4'-P energy: -128.007
tors. eta vs tors. theta energy: -223.158
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: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2484.583764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.583764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.583764 (E_RNA)
where:
Base-Base interactions energy: -1686.857
where: short stacking energy: -694.374
Base-Backbone interact. energy: 1.851
local terms energy: -799.578264
where:
bonds (distance) C4'-P energy: -172.886
bonds (distance) P-C4' energy: -162.828
flat angles C4'-P-C4' energy: -175.392
flat angles P-C4'-P energy: -103.511
tors. eta vs tors. theta energy: -184.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2186.473950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.473950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.473950 (E_RNA)
where:
Base-Base interactions energy: -1475.972
where: short stacking energy: -596.645
Base-Backbone interact. energy: 1.289
local terms energy: -711.791248
where:
bonds (distance) C4'-P energy: -155.591
bonds (distance) P-C4' energy: -159.134
flat angles C4'-P-C4' energy: -173.873
flat angles P-C4'-P energy: -90.366
tors. eta vs tors. theta energy: -132.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1878.805728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.805728 (E_RNA)
where:
Base-Base interactions energy: -1220.148
where: short stacking energy: -563.660
Base-Backbone interact. energy: -1.087
local terms energy: -657.570638
where:
bonds (distance) C4'-P energy: -149.647
bonds (distance) P-C4' energy: -126.025
flat angles C4'-P-C4' energy: -152.598
flat angles P-C4'-P energy: -104.401
tors. eta vs tors. theta energy: -124.899
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: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1571.076761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.076761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.076761 (E_RNA)
where:
Base-Base interactions energy: -947.660
where: short stacking energy: -456.720
Base-Backbone interact. energy: 4.386
local terms energy: -627.802274
where:
bonds (distance) C4'-P energy: -142.069
bonds (distance) P-C4' energy: -159.763
flat angles C4'-P-C4' energy: -133.549
flat angles P-C4'-P energy: -100.972
tors. eta vs tors. theta energy: -91.449
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: 489
Temperature: 1.300000
Total energy: -1263.576802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.576802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.576802 (E_RNA)
where:
Base-Base interactions energy: -722.614
where: short stacking energy: -348.784
Base-Backbone interact. energy: -1.048
local terms energy: -539.914637
where:
bonds (distance) C4'-P energy: -151.411
bonds (distance) P-C4' energy: -155.734
flat angles C4'-P-C4' energy: -117.505
flat angles P-C4'-P energy: -86.472
tors. eta vs tors. theta energy: -28.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -653.852400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.852400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.852400 (E_RNA)
where:
Base-Base interactions energy: -220.042
where: short stacking energy: -176.855
Base-Backbone interact. energy: -1.008
local terms energy: -432.802330
where:
bonds (distance) C4'-P energy: -129.221
bonds (distance) P-C4' energy: -149.694
flat angles C4'-P-C4' energy: -113.948
flat angles P-C4'-P energy: -87.910
tors. eta vs tors. theta energy: 47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -3193.189868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3193.189868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3193.189868 (E_RNA)
where:
Base-Base interactions energy: -2241.267
where: short stacking energy: -905.822
Base-Backbone interact. energy: -2.766
local terms energy: -949.156544
where:
bonds (distance) C4'-P energy: -189.767
bonds (distance) P-C4' energy: -155.997
flat angles C4'-P-C4' energy: -213.621
flat angles P-C4'-P energy: -113.963
tors. eta vs tors. theta energy: -275.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2995.232680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.232680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.232680 (E_RNA)
where:
Base-Base interactions energy: -2067.614
where: short stacking energy: -861.244
Base-Backbone interact. energy: -2.688
local terms energy: -924.931285
where:
bonds (distance) C4'-P energy: -153.056
bonds (distance) P-C4' energy: -184.145
flat angles C4'-P-C4' energy: -196.894
flat angles P-C4'-P energy: -136.183
tors. eta vs tors. theta energy: -254.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2969.433374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.433374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.433374 (E_RNA)
where:
Base-Base interactions energy: -2051.635
where: short stacking energy: -852.246
Base-Backbone interact. energy: -5.291
local terms energy: -912.507100
where:
bonds (distance) C4'-P energy: -164.541
bonds (distance) P-C4' energy: -165.875
flat angles C4'-P-C4' energy: -198.128
flat angles P-C4'-P energy: -108.357
tors. eta vs tors. theta energy: -275.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2691.400297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.400297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.400297 (E_RNA)
where:
Base-Base interactions energy: -1792.852
where: short stacking energy: -784.195
Base-Backbone interact. energy: -4.125
local terms energy: -894.424007
where:
bonds (distance) C4'-P energy: -178.122
bonds (distance) P-C4' energy: -168.459
flat angles C4'-P-C4' energy: -189.564
flat angles P-C4'-P energy: -123.713
tors. eta vs tors. theta energy: -234.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2506.587177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.587177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.587177 (E_RNA)
where:
Base-Base interactions energy: -1701.974
where: short stacking energy: -732.854
Base-Backbone interact. energy: -1.386
local terms energy: -803.227742
where:
bonds (distance) C4'-P energy: -168.644
bonds (distance) P-C4' energy: -147.567
flat angles C4'-P-C4' energy: -183.063
flat angles P-C4'-P energy: -91.611
tors. eta vs tors. theta energy: -212.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2255.047244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.047244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.047244 (E_RNA)
where:
Base-Base interactions energy: -1479.948
where: short stacking energy: -606.369
Base-Backbone interact. energy: -2.998
local terms energy: -772.101022
where:
bonds (distance) C4'-P energy: -157.344
bonds (distance) P-C4' energy: -161.479
flat angles C4'-P-C4' energy: -162.762
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -181.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1908.965670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.965670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.965670 (E_RNA)
where:
Base-Base interactions energy: -1190.978
where: short stacking energy: -550.723
Base-Backbone interact. energy: -4.326
local terms energy: -713.661732
where:
bonds (distance) C4'-P energy: -148.028
bonds (distance) P-C4' energy: -161.663
flat angles C4'-P-C4' energy: -171.549
flat angles P-C4'-P energy: -110.080
tors. eta vs tors. theta energy: -122.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1577.134615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.134615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.134615 (E_RNA)
where:
Base-Base interactions energy: -974.849
where: short stacking energy: -456.317
Base-Backbone interact. energy: 3.342
local terms energy: -605.627530
where:
bonds (distance) C4'-P energy: -144.779
bonds (distance) P-C4' energy: -158.922
flat angles C4'-P-C4' energy: -146.507
flat angles P-C4'-P energy: -78.472
tors. eta vs tors. theta energy: -76.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1193.005261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.005261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.005261 (E_RNA)
where:
Base-Base interactions energy: -694.184
where: short stacking energy: -319.932
Base-Backbone interact. energy: 0.828
local terms energy: -499.649524
where:
bonds (distance) C4'-P energy: -141.266
bonds (distance) P-C4' energy: -140.821
flat angles C4'-P-C4' energy: -134.265
flat angles P-C4'-P energy: -67.227
tors. eta vs tors. theta energy: -16.071
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: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -690.207343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.207343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.207343 (E_RNA)
where:
Base-Base interactions energy: -253.100
where: short stacking energy: -212.835
Base-Backbone interact. energy: -0.929
local terms energy: -436.178405
where:
bonds (distance) C4'-P energy: -137.696
bonds (distance) P-C4' energy: -121.804
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -80.804
tors. eta vs tors. theta energy: 28.147
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: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -3172.429957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3172.429957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3172.429957 (E_RNA)
where:
Base-Base interactions energy: -2182.663
where: short stacking energy: -851.252
Base-Backbone interact. energy: -2.679
local terms energy: -987.088066
where:
bonds (distance) C4'-P energy: -173.951
bonds (distance) P-C4' energy: -193.041
flat angles C4'-P-C4' energy: -215.820
flat angles P-C4'-P energy: -135.587
tors. eta vs tors. theta energy: -268.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -3039.181904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3039.181904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3039.181904 (E_RNA)
where:
Base-Base interactions energy: -2101.536
where: short stacking energy: -916.489
Base-Backbone interact. energy: 0.620
local terms energy: -938.266370
where:
bonds (distance) C4'-P energy: -169.228
bonds (distance) P-C4' energy: -161.813
flat angles C4'-P-C4' energy: -200.715
flat angles P-C4'-P energy: -137.574
tors. eta vs tors. theta energy: -268.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2934.478868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.478868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.478868 (E_RNA)
where:
Base-Base interactions energy: -2051.039
where: short stacking energy: -841.772
Base-Backbone interact. energy: -1.725
local terms energy: -881.714642
where:
bonds (distance) C4'-P energy: -169.643
bonds (distance) P-C4' energy: -158.897
flat angles C4'-P-C4' energy: -191.033
flat angles P-C4'-P energy: -116.003
tors. eta vs tors. theta energy: -246.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2694.743716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.743716 (E_RNA)
where:
Base-Base interactions energy: -1816.789
where: short stacking energy: -809.568
Base-Backbone interact. energy: -1.207
local terms energy: -876.747093
where:
bonds (distance) C4'-P energy: -149.707
bonds (distance) P-C4' energy: -161.175
flat angles C4'-P-C4' energy: -201.021
flat angles P-C4'-P energy: -129.501
tors. eta vs tors. theta energy: -235.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2467.883067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.883067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.883067 (E_RNA)
where:
Base-Base interactions energy: -1683.188
where: short stacking energy: -711.374
Base-Backbone interact. energy: -0.979
local terms energy: -783.715743
where:
bonds (distance) C4'-P energy: -155.537
bonds (distance) P-C4' energy: -151.641
flat angles C4'-P-C4' energy: -167.336
flat angles P-C4'-P energy: -105.577
tors. eta vs tors. theta energy: -203.625
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: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2200.618034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.618034 (E_RNA)
where:
Base-Base interactions energy: -1493.357
where: short stacking energy: -632.488
Base-Backbone interact. energy: -1.645
local terms energy: -705.615967
where:
bonds (distance) C4'-P energy: -139.836
bonds (distance) P-C4' energy: -169.542
flat angles C4'-P-C4' energy: -152.603
flat angles P-C4'-P energy: -102.544
tors. eta vs tors. theta energy: -141.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1906.424998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.424998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.424998 (E_RNA)
where:
Base-Base interactions energy: -1200.253
where: short stacking energy: -558.206
Base-Backbone interact. energy: 3.882
local terms energy: -710.054387
where:
bonds (distance) C4'-P energy: -155.088
bonds (distance) P-C4' energy: -158.933
flat angles C4'-P-C4' energy: -161.526
flat angles P-C4'-P energy: -109.787
tors. eta vs tors. theta energy: -124.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1606.371458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.371458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.371458 (E_RNA)
where:
Base-Base interactions energy: -985.846
where: short stacking energy: -477.369
Base-Backbone interact. energy: -6.143
local terms energy: -614.382245
where:
bonds (distance) C4'-P energy: -139.756
bonds (distance) P-C4' energy: -164.771
flat angles C4'-P-C4' energy: -136.508
flat angles P-C4'-P energy: -85.300
tors. eta vs tors. theta energy: -88.046
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1228.530442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.530442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.530442 (E_RNA)
where:
Base-Base interactions energy: -696.200
where: short stacking energy: -348.824
Base-Backbone interact. energy: 3.736
local terms energy: -536.066234
where:
bonds (distance) C4'-P energy: -133.329
bonds (distance) P-C4' energy: -141.917
flat angles C4'-P-C4' energy: -122.084
flat angles P-C4'-P energy: -120.604
tors. eta vs tors. theta energy: -18.132
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: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -711.789567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.789567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.789567 (E_RNA)
where:
Base-Base interactions energy: -256.908
where: short stacking energy: -209.934
Base-Backbone interact. energy: 7.953
local terms energy: -462.834241
where:
bonds (distance) C4'-P energy: -134.235
bonds (distance) P-C4' energy: -155.048
flat angles C4'-P-C4' energy: -132.725
flat angles P-C4'-P energy: -79.445
tors. eta vs tors. theta energy: 38.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -3229.768516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3229.768516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3229.768516 (E_RNA)
where:
Base-Base interactions energy: -2273.834
where: short stacking energy: -953.953
Base-Backbone interact. energy: -3.340
local terms energy: -952.594156
where:
bonds (distance) C4'-P energy: -169.212
bonds (distance) P-C4' energy: -157.620
flat angles C4'-P-C4' energy: -205.431
flat angles P-C4'-P energy: -148.588
tors. eta vs tors. theta energy: -271.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -3057.737490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3057.737490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3057.737490 (E_RNA)
where:
Base-Base interactions energy: -2107.165
where: short stacking energy: -838.400
Base-Backbone interact. energy: -1.947
local terms energy: -948.625659
where:
bonds (distance) C4'-P energy: -156.240
bonds (distance) P-C4' energy: -188.027
flat angles C4'-P-C4' energy: -187.850
flat angles P-C4'-P energy: -143.174
tors. eta vs tors. theta energy: -273.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2947.004618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.004618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.004618 (E_RNA)
where:
Base-Base interactions energy: -2053.933
where: short stacking energy: -852.327
Base-Backbone interact. energy: -4.462
local terms energy: -888.610161
where:
bonds (distance) C4'-P energy: -144.625
bonds (distance) P-C4' energy: -156.089
flat angles C4'-P-C4' energy: -198.323
flat angles P-C4'-P energy: -130.357
tors. eta vs tors. theta energy: -259.217
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: 492
Temperature: 1.050000
Total energy: -2700.123570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.123570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.123570 (E_RNA)
where:
Base-Base interactions energy: -1835.734
where: short stacking energy: -794.299
Base-Backbone interact. energy: -2.383
local terms energy: -862.006529
where:
bonds (distance) C4'-P energy: -155.508
bonds (distance) P-C4' energy: -165.050
flat angles C4'-P-C4' energy: -189.225
flat angles P-C4'-P energy: -123.021
tors. eta vs tors. theta energy: -229.202
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: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2496.812103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.812103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.812103 (E_RNA)
where:
Base-Base interactions energy: -1667.997
where: short stacking energy: -684.259
Base-Backbone interact. energy: 1.171
local terms energy: -829.985721
where:
bonds (distance) C4'-P energy: -145.536
bonds (distance) P-C4' energy: -175.903
flat angles C4'-P-C4' energy: -184.685
flat angles P-C4'-P energy: -123.234
tors. eta vs tors. theta energy: -200.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2155.678108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.678108 (E_RNA)
where:
Base-Base interactions energy: -1414.047
where: short stacking energy: -607.897
Base-Backbone interact. energy: -0.086
local terms energy: -741.544901
where:
bonds (distance) C4'-P energy: -168.147
bonds (distance) P-C4' energy: -175.549
flat angles C4'-P-C4' energy: -164.417
flat angles P-C4'-P energy: -99.024
tors. eta vs tors. theta energy: -134.408
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: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1837.557352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.557352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.557352 (E_RNA)
where:
Base-Base interactions energy: -1174.329
where: short stacking energy: -536.029
Base-Backbone interact. energy: -5.440
local terms energy: -657.787966
where:
bonds (distance) C4'-P energy: -156.731
bonds (distance) P-C4' energy: -142.503
flat angles C4'-P-C4' energy: -157.495
flat angles P-C4'-P energy: -100.052
tors. eta vs tors. theta energy: -101.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1632.691085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.691085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.691085 (E_RNA)
where:
Base-Base interactions energy: -986.714
where: short stacking energy: -458.338
Base-Backbone interact. energy: 0.261
local terms energy: -646.238215
where:
bonds (distance) C4'-P energy: -148.534
bonds (distance) P-C4' energy: -178.359
flat angles C4'-P-C4' energy: -139.705
flat angles P-C4'-P energy: -102.679
tors. eta vs tors. theta energy: -76.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1255.401222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.401222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.401222 (E_RNA)
where:
Base-Base interactions energy: -698.813
where: short stacking energy: -341.470
Base-Backbone interact. energy: -2.992
local terms energy: -553.596205
where:
bonds (distance) C4'-P energy: -149.749
bonds (distance) P-C4' energy: -148.174
flat angles C4'-P-C4' energy: -132.543
flat angles P-C4'-P energy: -90.830
tors. eta vs tors. theta energy: -32.300
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: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -634.208373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.208373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.208373 (E_RNA)
where:
Base-Base interactions energy: -195.351
where: short stacking energy: -160.277
Base-Backbone interact. energy: 8.634
local terms energy: -447.490856
where:
bonds (distance) C4'-P energy: -154.918
bonds (distance) P-C4' energy: -160.710
flat angles C4'-P-C4' energy: -112.403
flat angles P-C4'-P energy: -70.994
tors. eta vs tors. theta energy: 51.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -3215.961502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3215.961502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3215.961502 (E_RNA)
where:
Base-Base interactions energy: -2222.929
where: short stacking energy: -911.473
Base-Backbone interact. energy: -3.212
local terms energy: -989.820625
where:
bonds (distance) C4'-P energy: -185.024
bonds (distance) P-C4' energy: -174.115
flat angles C4'-P-C4' energy: -204.766
flat angles P-C4'-P energy: -145.518
tors. eta vs tors. theta energy: -280.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -3046.336434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.336434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.336434 (E_RNA)
where:
Base-Base interactions energy: -2093.470
where: short stacking energy: -895.876
Base-Backbone interact. energy: -5.657
local terms energy: -947.209098
where:
bonds (distance) C4'-P energy: -160.080
bonds (distance) P-C4' energy: -181.481
flat angles C4'-P-C4' energy: -193.899
flat angles P-C4'-P energy: -137.696
tors. eta vs tors. theta energy: -274.053
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: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2957.669811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.669811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.669811 (E_RNA)
where:
Base-Base interactions energy: -2049.612
where: short stacking energy: -852.598
Base-Backbone interact. energy: -3.697
local terms energy: -904.361072
where:
bonds (distance) C4'-P energy: -158.807
bonds (distance) P-C4' energy: -165.509
flat angles C4'-P-C4' energy: -191.573
flat angles P-C4'-P energy: -135.240
tors. eta vs tors. theta energy: -253.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2712.169035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.169035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.169035 (E_RNA)
where:
Base-Base interactions energy: -1840.465
where: short stacking energy: -800.266
Base-Backbone interact. energy: 5.827
local terms energy: -877.530718
where:
bonds (distance) C4'-P energy: -142.316
bonds (distance) P-C4' energy: -160.358
flat angles C4'-P-C4' energy: -197.316
flat angles P-C4'-P energy: -134.406
tors. eta vs tors. theta energy: -243.134
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: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2495.083342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.083342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.083342 (E_RNA)
where:
Base-Base interactions energy: -1658.538
where: short stacking energy: -702.548
Base-Backbone interact. energy: -2.494
local terms energy: -834.050888
where:
bonds (distance) C4'-P energy: -164.785
bonds (distance) P-C4' energy: -162.638
flat angles C4'-P-C4' energy: -187.706
flat angles P-C4'-P energy: -117.291
tors. eta vs tors. theta energy: -201.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2220.909081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.909081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.909081 (E_RNA)
where:
Base-Base interactions energy: -1470.212
where: short stacking energy: -637.693
Base-Backbone interact. energy: -4.571
local terms energy: -746.126572
where:
bonds (distance) C4'-P energy: -153.221
bonds (distance) P-C4' energy: -161.807
flat angles C4'-P-C4' energy: -173.371
flat angles P-C4'-P energy: -105.326
tors. eta vs tors. theta energy: -152.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1851.250991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.250991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.250991 (E_RNA)
where:
Base-Base interactions energy: -1184.604
where: short stacking energy: -557.290
Base-Backbone interact. energy: 2.553
local terms energy: -669.200395
where:
bonds (distance) C4'-P energy: -140.894
bonds (distance) P-C4' energy: -143.052
flat angles C4'-P-C4' energy: -153.179
flat angles P-C4'-P energy: -116.877
tors. eta vs tors. theta energy: -115.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1652.294593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.294593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.294593 (E_RNA)
where:
Base-Base interactions energy: -1045.650
where: short stacking energy: -483.886
Base-Backbone interact. energy: -3.844
local terms energy: -602.801157
where:
bonds (distance) C4'-P energy: -121.474
bonds (distance) P-C4' energy: -152.281
flat angles C4'-P-C4' energy: -136.199
flat angles P-C4'-P energy: -91.335
tors. eta vs tors. theta energy: -101.512
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: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1231.866499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.866499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.866499 (E_RNA)
where:
Base-Base interactions energy: -717.255
where: short stacking energy: -355.474
Base-Backbone interact. energy: 0.207
local terms energy: -514.818212
where:
bonds (distance) C4'-P energy: -119.783
bonds (distance) P-C4' energy: -159.419
flat angles C4'-P-C4' energy: -112.450
flat angles P-C4'-P energy: -81.124
tors. eta vs tors. theta energy: -42.041
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: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -688.846176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.846176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.846176 (E_RNA)
where:
Base-Base interactions energy: -257.901
where: short stacking energy: -195.433
Base-Backbone interact. energy: 0.016
local terms energy: -430.961083
where:
bonds (distance) C4'-P energy: -132.335
bonds (distance) P-C4' energy: -137.364
flat angles C4'-P-C4' energy: -124.243
flat angles P-C4'-P energy: -70.441
tors. eta vs tors. theta energy: 33.423
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)
out arg RESULTS//1/IRES-a9905476_01
DONE
DONE